Spin vs charge excitations in heavy-fermion compounds
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Chapter 6 Magnetism of MatterThe history of magnetism dates back to earlier than 600 B.C., but it is only in the twentieth century that scientists have begun to understand it, and develop technologies based on this understanding. Magnetism was most probably first observed in a form of the mineral magnetite called lodestone, which consists of iron oxide-a chemical compound of iron and oxygen. The ancient Greeks were the first known to have used this mineral, which they called a magnet because of its ability to attract other pieces of the same material and iron.The Englishman William Gilbert(1540-1603) was the first to investigate the phenomenon of magnetism systematically using scientific methods. He also discovered that Earth is itself a weak magnet. Early theoretical investigations into the nature of Earth's magnetism were carried out by the German Carl Friedrich Gauss(1777-1855). Quantitative studies of magnetic phenomena initiated in the eighteenth century by Frenchman Charles Coulomb(1736-1806), who established the inverse square law of force, which states that the attractive force between two magnetized objects is directly proportional to the product of their individual fields and inversely proportional to the square of the distance between them.Danish physicist Hans Christian Oersted(1777-1851) first suggested a link between electricity and magnetism. Experiments involving the effects of magnetic and electric fields on one another were then conducted by Frenchman Andre Marie Ampere(1775-1836) and Englishman Michael Faraday(1791-1869), but it was the Scotsman, James Clerk Maxwell(1831-1879), who provided the theoretical foundation to the physics of electromagnetism in the nineteenth century by showing that electricity and magnetism represent different aspects of the same fundamental force field. Then, in the late 1960s American Steven Weinberg(1933-) and Pakistani Abdus Salam(1926-96), performed yet another act of theoretical synthesis of the fundamental forces by showing that electromagnetism is one part of the electroweak force. The modern understanding of magnetic phenomena in condensed matter originates from the work of two Frenchmen: Pierre Curie(1859-1906), the husband and scientific collaborator of Madame Marie Curie(1867-1934), and Pierre Weiss(1865-1940). Curie examined the effect of temperature on magnetic materials and observed that magnetism disappeared suddenly above a certain critical temperature in materials like iron. Weiss proposed a theory of magnetism based on an internal molecular field proportional to the average magnetization that spontaneously align the electronic micromagnets in magnetic matter. The present day understanding of magnetism based on the theory of the motion and interactions of electrons in atoms (called quantum electrodynamics) stems from the work and theoretical models of two Germans, Ernest Ising and Werner Heisenberg (1901-1976). Werner Heisenberg was also one of the founding fathers of modern quantum mechanics.Magnetic CompassThe magnetic compass is an old Chinese invention, probably first made in China during the Qin dynasty (221-206 B.C.). Chinese fortune tellers used lodestonesto construct their fortune telling boards.Magnetized NeedlesMagnetized needles used as direction pointers instead of the spoon-shaped lodestones appeared in the 8th century AD, again in China, and between 850 and 1050 they seemto have become common as navigational devices on ships. Compass as a Navigational AidThe first person recorded to have used the compass as a navigational aid was Zheng He (1371-1435), from the Yunnan province in China, who made seven ocean voyages between 1405 and 1433.有关固体磁性的基本概念和规律在上个世纪电磁学的发展史中就开始建立了。
Divergent V ocabularyPage oneslide panel: line 1 , [slaɪd]['pæn(ə)l]A panel can slide over something like a mirror.滑动面板If you slide somewhere, you move there smoothly and quietly. 滑动A panel is a flat rectangular piece of wood or other material 平板stool: line 5 [stuːl]A stool is a seat with legs but no support for your arms or back 凳子3 trim: line 6[trɪm]If you trim something, for example, someone's hair, you cut off small amounts of it in order to make it look neater. 修剪4 strand: line 6 [strænd]A strand of something such as hair, wire, or thread is a single thin piece of it. (头发、电线或纱线的) 缕twist : line 9 [twɪst]If you twist something, you turn it to make a spiral shape, for example, by turning the two ends of it in opposite directions. 扭曲; 拧6. knot: line 9[nɔt]If you tie a knot in a piece of string, rope, cloth, or other material, you pass one end or part of it through a loop and pull it tight. 结7. sneak : line 12 [sniːk]If you sneak a look at someone or something, you secretly have a quick look at them. 偷偷地看8.sake: line 13 [seɪk]If you do something for the sake of something, you do it for that purpose or in order to achieve that result. You can also say that you do it for something's sake. 为了…的目的vanity: line 13 /ˈvænɪtɪ/If you refer to someone's vanity, you are critical of them because they take great pride in their appearance or abilities. 虚荣Page 2self-indulgent: line 5['selfin'dʌldʒənt]If you say that someone is self-indulgent, you mean that they allow themselves to have or do the things that they enjoy very much. 自我放纵的reprimand: line 9['reprɪmɑːnd]If someone is reprimanded, they are spoken to angrily or seriously for doing something wrong, usually by a person in authority. 训斥; 谴责[正式]3. aptitude:line 15 ['æptɪtjuːd]Someone's aptitude for a particular kind of work or activity is their ability to learn it quickly and to do it well. 天资eyelash: line 25['aɪlæʃ]Your eyelashes are the hairs that grow on the edges of your eyelids. 睫毛Page 31.abnegation:line 1 [æbnɪ'geɪʃ(ə)n]rejection, refusal拒绝;放弃;克制无私2 skim:line 4[skɪm]If something skims a surface, it moves quickly along just above it. 掠过3 hum : line 5 [hʌm]If something hums, it makes a low continuous noise. 发出连续低沉的声音4 stink:line 7[stɪŋk]To stink means to smell very bad. 发臭5 patch: line 7[pætʃ]A patch on a surface is a part of it that is different in appearance from the area around it. (与周围不同的) 块; 片6 uneven: line 8[ʌn'iːv(ə)n]An uneven surface or edge is not smooth, flat, or straight. 不平坦的; 不直的7 pavement:line 8/ˈpeɪvmənt/The pavement is the hard surface of a road. 路面8 jostle: line 8['dʒɒs(ə)l]If people jostle you, they bump against you or push you in a way that annoys you, usually because you are in a crowd and they are trying to get past you. 推搡; 推挤9 grip :line 9[grɪp]If you grip something, you take hold of it with your hand and continue to hold it firmly. 紧握10 aisle;line 10[aɪl]An aisle is a long narrow gap that people can walk along between rows of seats in a public building(座位间或货架间的) 通道11 rail : line 11[reɪl]A rail is a horizontal bar attached to posts or around the edge of something as a fence or support. 栏杆,铁轨12 dimple : line13['dɪmp(ə)l]A dimple is a small hollow in someone's cheek or chin, often one that you can see when they smile. 酒窝13 inherit :line 17[ɪn'herɪt]If you inherit a characteristic or quality, you are born with it, because your parents or ancestors also had it. 经遗传而得(特征、品质等)14 candor : line 18 ['kændɚ]admission 坦白Page 41 smooth : line 1[smuːð]A smooth surface has no roughness, lumps, or holes. 光滑的2 hub : line 2 [hʌb]You can describe a place as a hub of an activity when it is a very important centre for that activity. 活动中心3 pillar : line 3['pɪlə]A pillar is a tall solid structure that is usually used to support part of a building. 柱子4 elevate : line 4 ['elɪveɪt]If you elevate something, you raise it higher. 举起; 抬高When someone or something achieves a more important rank or status, you can say that they are elevated to it. 提拔[正式]5 dauntless: line 6['dɔːntlɪs]A dauntless person is brave and confident and not easily frightened. 无所畏惧的[文学性]6 repave;line 8[ri'pev]重新铺砌;重新铺筑(道路等)7 crack : line 11 [kræk]If something hard cracks, or if you crack it, it becomes slightly damaged, with lines appearing on its surface. 使…破裂; 破裂8 patchy : line 11 ['pætʃi]A patchy substance or colour exists in some places but not in others, or is thick in some places and thin in others. 分布不均衡的9 sway :line 13 [sweɪ]When people or things sway, they lean or swing slowly from one side to the other. 摇摆10 clutch: line 14[klʌtʃ]If you clutch at something or clutch something, you hold it tightly, usually because you are afraid or anxious. (因为害怕或焦虑而) 抓牢11 stumble: line 20 ['stʌmb(ə)l]If you stumble, you put your foot down awkwardly while you are walking or running and nearly fall over. 踉跄; 绊脚12 slack : line 21 [slæk]Something that is slack is loose and not firmly stretched or tightly in position. 松散的; 松弛的; 宽松的Page 51 devour : line 9[dɪ'vaʊə]If a person or animal devours something, they eat it quickly and eagerly. 狼吞虎咽地吃2 erudite: line 25['erʊdaɪt]If you describe someone as erudite, you mean that they have or show great academic knowledge.3 amity : line 25['æmɪtɪ]Amity is peaceful, friendly relations between people or countries. 和睦; 友好关系[正式]4 mania: line 8['meɪnɪə]If you say that a person or group has a mania for something, you mean that they enjoy it very much or spend a lot of time on it. 狂热Mania is a mental illness which causes the sufferer to become very worried or concerned about something. 狂躁症Page 71 hellion:line 5['heljən]a rough or rowdy person, esp a child; troublemaker 捣蛋鬼(Also called heller)[美国英语][非正式]2 administrator: line 2 [əd'mɪnɪstreɪtə]An administrator is a person whose job involves helping to organize and supervise the way that an organization or institution functions. 行政人员; 管理人员3 eliminate :line 11[ɪ'lɪmɪneɪt]To eliminate something, especially something you do not want or need, means to remove it completely. 根除[正式]4 dictate :line 17[dɪk'teɪt]If you dictate something, you say or read it aloud for someone else to write down. 口授; 使听写5 idle::line 17 ['aidlə]If people who were working are idle, they have no jobs or work. 无事可做的6 supersede: line 17[,suːpə'siːd; ,sjuː-If something is superseded by something newer, it is replaced because it has become old-fashioned or unacceptable. 取代Page 11grin :line 12 [grɪn]When you grin, you smile broadly. 咧嘴笑2. recline: line 26 [rɪ'klaɪn]When a seat reclines or when you recline it, you lower the back so that it is more comfortable to sit in. 使向后倾斜; 向后倾斜Page 131 squeeze:line 4[skwiːz]If you squeeze something, you press it firmly, usually with your hands. (常指用手) 挤压; 紧捏2 vial :line 7['vaɪəl]A vial is a very small bottle that is used to hold something such as perfume or medicine. (装香水、药物等的)小瓶3 scowl : line4 [skaʊl]When someone scowls, an angry or hostile expression appears on their face. 作怒容; 绷着脸4 vibrate: line 18 [vaɪ'breɪt]If something vibrates or if you vibrate it, it shakes with repeated small, quick movements. 使颤动; 颤动Page 151 clench: line 15[klen(t)ʃ]When you clench your fist or your fist clenches, you curl your fingers up tightly, usually because you are very angry. (常指因生气而) 握紧(拳头)When you clench your teeth or they clench, you squeeze your teeth together firmly, usually because you are angry or upset. (常指因生气或不安而) 咬紧(牙)2 cringe: line 21 [krɪn(d)ʒ]If you cringe at something, you feel embarrassed or disgusted, and perhaps show this feeling in your expression or by making a slight movement. 感到局促不安3 vicious ;line 22['vɪʃəs]A vicious person or a vicious blow is violent and cruel. 凶残的Page 161 squeal line 5 [skwiːl]If someone or something squeals, they make a long, high-pitched sound. 发出长而尖的声音2 crumple line 22 ['krʌmp(ə)l]If you crumple something such as paper or cloth, or if it crumples, it is squashed and becomes full of untidy creases and folds. 弄皱; 起皱3 apprehend last line[æprɪ'hend]If the police apprehend someone, they catch them and arrest them. 逮捕[正式] Page 171 dread: line 2[dred]If you dread something which may happen, you feel very anxious and unhappy about it because you think it will be unpleasant or upsetting. 害怕; 担忧2 shudder: line 18 ['ʃʌdə]If you shudder, you shake with fear, horror, or disgust, or because you are cold. (因害怕、恐惧、厌恶或寒冷) 发抖3 irrational: line 18[ɪ'ræʃ(ə)n(ə)l]If you describe someone's feelings and behaviour as irrational, you mean they are not based on logical reasons or clear thinking. 不理性的4 snarl: line 22 [snɑːl]When an animal snarls, it makes a fierce, rough sound in its throat while showing its teeth. (动物) 露齿嗥叫5 ripple;line 23 ['rɪp(ə)l]Ripples are little waves on the surface of water caused by the wind or by something moving in or on the water. 涟漪Page 191 tilt line2 [tɪlt]If you tilt an object or if it tilts, it moves into a sloping position with one end or side higher than the other. 使倾斜; 倾斜2 perplex: line 13 [pə'pleks]If something perplexes you, it confuses and worries you because you do not understand it or because it causes you difficulty. 使困惑和忧虑Page 211 simulation : line 10[,sɪmjʊ'leɪʃən]Simulation is the process of simulating something or the result of simulating it. 模拟; 模拟结果2 linear : line 11 ['lɪnɪə]A linear process or development is one in which something changes or progressesstraight from one stage to another, and has a starting point and an ending point. 线性的Page 241 curb : line 2[kɜːb]Stone around the street .If you curb something, you control it and keep it within limits. 抑制2 dangle : line 6 ['dæŋg(ə)l]If something dangles from somewhere or if you dangle it somewhere, it hangs or swings loosely. 悬挂; 悬摆3 precariously: line 6 [pri'kɛəriəsli]If your situation is precarious, you are not in complete control of events and might fail in what you are doing at any moment. (情况) 不稳定的4 renovation : line 8[,renə'veɪʃn]renovate['renəveɪt]If someone renovates an old building, they repair and improve it and get it back into good condition. 修复; 整修5 marsh : line 10[mɑːʃ]A marsh is a wet, muddy area of land. 沼泽6 genuine: line 20['dʒenjʊɪn]Genuine is used to describe people and things that are exactly what they appear to be, and are not false or an imitation. 真正的7 forsake : line 21 [fə'seɪk]If you forsake someone, you leave them when you should have stayed, or you stop helping them or looking after them. 离弃[文学性]8 sector ;line 23['sektə]A particular sector of a country's economy is the part connected with that specified type of industry. (经济的) 部门9 skeleton: line 24['skelɪt(ə)n]Your skeleton is the framework of bones in your body. 骨骼Page 251 sewage : line 2['suːɪdʒ]Sewage is waste matter such as faeces(粪便排泄物) or dirty water from homes and factories, which flows away through sewers. (下水道排出的) 废物2 initiation: line 5[ɪ,nɪʃɪ'eɪʃn]The initiation of something is the starting of it. 开始; 发起3 sag : line 12 [sæg]When something sags, it hangs down loosely or sinks downward in the middle. (中间部分) 下垂; 下陷Page 261 tug: line 3[tʌg]If you tug something or tug at it, you give it a quick and usually strong pull. 猛拉; 拽retort: line 10[rɪ'tɔːt]To retort means to reply angrily to someone. 反驳[书面]Page 271 adornment : line 2[ə'dɔːnm(ə)nt]Adornment is the process of making something more beautiful by adding something to it. 装饰2 rectangle :line 8 ['rektæŋg(ə)l]A rectangle is a four-sided shape whose corners are all ninety-degree angles. Each side of a rectangle is the same length as the one opposite to it. 长方形3 lawn : line 8[lɔːn]A lawn is an area of grass that is kept cut short and is usually part of someone's garden, or part of a park. 草坪4 crabgrass: line 9['kræbɡræs]杂草Page 281 suppress: line 13[sə'pres]If someone in authority suppresses an activity, they prevent it from continuing, by using force or making it illegal. 镇压; 压制Page 29 :1duplicity: line 1/djuːˈplɪsɪtɪ/you accuse someone of duplicity, you mean that they are deceitful. 奸诈[正式2 tentative: line 14['tentətiv]Tentative agreements, plans, or arrangements are not definite or certain, but have been made as a first step. 初步的Page 301 accusatory : line 6 [ə'kjuːzət(ə)rɪ]An accusatory look, remark, or tone of voice suggests blame or criticism.2 prob : line 6 ][prɒb] probale probably problem probate probabilityPage 311 opinionated: line 11[ə'pɪnjəneɪtɪd]If you describe someone as opinionated, you mean that they have very strong opinions and refuse to accept that they may be wrong. 固执己见的2 recruit : line 20 [rɪ'kruːt]If you recruit people for an organization, you select them and persuade them to join it or work for it. 招收; 招募Page 321 wary: line['weərɪ]If you are wary of something or someone, you are cautious because you do not know much about them and you believe they may be dangerous or cause problems. 小心的; 提防的Page 331 corrupt : line 10 /kəˈrʌpt/Someone who is corrupt behaves in a way that is morally wrong, especially by doing dishonest or illegal things in return for money or power. 腐败的2 impeccable : line 12[ɪm'pekəb(ə)l]If you describe something such as someone's behaviour or appearance as impeccable, you are emphasizing that it is perfect and has no faults. 无可挑剔的[强调]3 fortitude : line 13['fɔːtɪtjuːd]If you say that someone has shown fortitude, you admire them for being brave, calm, and uncomplaining when they have experienced something unpleasant or painful. 刚毅[正式]4 ultimate : line 16 ['ʌltɪmət]You use ultimate to describe the final result or aim of a long series of events. 最终的Page 341 chastise :line 16[tʃæ'staɪz]If you chastise someone, you speak to them angrily or punish them for something wrong that they have done. 训斥; 责罚[正式]2 devastate : line 24['devəsteɪt]If something devastates an area or a place, it damages it very badly or destroys it totally. 严重破坏; 彻底摧毁Page 351 infant : line 1 ['ɪnf(ə)nt]An infant is a baby or very young child. 婴儿; 幼儿[正式]2 lust : line 22[lʌst]A lust for something is a very strong and eager desire to have it. 欲望Page 361 startle : line 20 ['stɑːt(ə)l]If something sudden and unexpected startles you, it surprises and frightens you slightly. 使受惊Page 391 subsume : line 10[səb'sju:m]If something is subsumed within a larger group or class, it is included within it, rather than being considered as something separate. 包括; 归入2 hive : line 10 [haɪv]If you describe a place as a hive of activity, you approve of the fact that there is a lot of activity there or that people are busy working there. 忙碌的地方[表赞许]3 outward : line 11['aʊtwəd]The outward feelings, qualities, or attitudes of someone or something are the ones they appear to have rather than the ones that they actually have.表面看起来的Page 401 reverse :line 40 [rɪ'vɜːs]1. V-T When someone or something reverses a decision, policy, or trend, they change it to the opposite decision, policy, or trend. 使(决定、政策、趋势) 转向; 逆转2. V-T If you reverse the order of a set of things, you arrange them in the opposite order, so that the first thing comes last. 颠倒(顺序)Page 421 precipice : line 5 ['presɪpɪs]A precipice is a very steep cliff on a mountain. 悬崖; 峭壁2 solemn: line 6 ['sɒləm]Someone or something that is solemn is very serious rather than cheerful or humorous. (人) 严肃的; (物) 庄严的3 ideology : line 8[,aɪdɪ'ɒlədʒɪ; ɪd-]An ideology is a set of beliefs, especially the political beliefs on which people, parties, or countries base their actions. 意识形态4 cowardice : line 4['kaʊədɪs]If you call someone a coward, you disapprove of them because they are easily frightened and avoid dangerous or difficult situations. 胆小鬼[表不满]Page 441 muffle: line 6 ['mʌf(ə)l]If something muffles a sound, it makes it quieter and more difficult to hear. 压低(声音)2 syllable : line 9['sɪləb(ə)l]A syllable is a part of a word that contains a single vowel sound and that is pronounced as a unit. So, for example, "book" has one syllable, and "reading" has two syllables. 音节Page 471 blade : line 14[bleɪd]The blade of a knife, axe, or saw is the edge, which is used for cutting. 刃Page 491 wrench: line 8[ren(t)ʃ]If you wrench something that is fixed in a particular position, you pull or twist it violently, in order to move or remove it. 猛拽; 猛扭2 headquarter :line 15['hedkwɔːtə]设立总部在…设总部3 hell: line 23[hel]In some religions, hell is the place where the Devil lives, and where wicked people are sent to be punished when they die. Hell is usually imagined as being under the ground and full of flames. 地狱Page 501 crisp : line 1[krɪsp]Weather that is pleasantly fresh, cold, and dry can be described as crisp. 清爽的(天气)2sprawl: line 4[sprɔːl]If you sprawl somewhere, you sit or lie down with your legs and arms spread out in a careless way. 伸开四肢坐着; 摊开四肢躺着,蔓延3 sprint: line 5[sprɪnt]The sprint is a short, fast running race. 短跑赛4 dissipate: line 6['dɪsɪpeɪt]When something dissipates or when you dissipate it, it becomes less or becomes less strong until it disappears or goes away completely. 驱散; 消散[正式]5 glide : line 18[glaɪd]If you glide somewhere, you move silently and in a smooth and effortless way. 滑行Page 511 slam : line 3 [slæm]If you slam a door or window or if it slams, it shuts noisily and with great force. 砰地关上; 使劲关上2 strain : line 9 [strein]To strain something means to make it do more than it is able to do. 使受到压力3sail: line 10[seɪl]You say a ship sails when it moves over the sea. 航行Page 521 faint :line 17['feint]A faint sound, colour, mark, feeling, or quality has very little strength or intensity. 微弱的Page 531 linger : line 6 ['lɪŋgə]When something such as an idea, feeling, or illness lingers, it continues to exist for a long time, often much longer than expected. (想法、感觉、疾病) 继续存留2 hint:line 6 [hɪnt]A hint is a suggestion about something that is made in an indirect way. 暗示3 smear : line 53 [smɪə]Make sth unclear.Page 541 crook : line 2[krʊk]If you crook your arm or finger, you bend it. 弯曲Page 551 prickle : line 3 ['prɪk(ə)l]If your skin prickles, it feels as if a lot of small sharp points are being stuck into it, either because of something touching it or because you feel a strong emotion. (因被刺或强烈的感触而)感到刺痛2 shin : line 3/ʃɪn/Your shins are the front parts of your legs between your knees and your ankles. 胫3 wail : line 14[weɪl]someone wails, they make long, loud, high-pitched cries which express sorrow or pain. 哀号Page 561 stern:line 3[stɜːn]Stern words or actions are very severe. (话语或行为) 严厉的2 sting: line 16/stɪŋ/If a plant, animal, or insect stings you, a sharp part of it, usually covered with poison, is pushed into your skin so that you feel a sharp pain. 刺; 叮2 scandalous : line 19['skændələs]Scandalous behaviour or activity is considered immoral and shocking. 不道德的; 令人震惊的Page 58Surge: line 21[sɜːdʒ]A surge is a sudden large increase in something that has previously been steady, or has only increased or developed slowly. 剧增Page 591 cradle : line 2['kreɪd(ə)l]A cradle is a baby's bed with high sides. Cradles often have curved bases so that they rock from side to side. 摇篮Page 62Pit : line 16 [pɪt]A pit is a large hole that is dug in the ground. 大坑Page 641 chasm : line 16 ['kæzəm]A chasm is a very deep crack in rock, earth, or ice. (岩石、地面或冰上的) 大裂口2 tame : line 17[teim]A tame animal or bird is one that is not afraid of humans. 驯服的Page 65nudge : line 2 from last: [nʌdʒ]If you nudge someone, you push them gently, usually with your elbow, in order to draw their attention to something. (常用肘为引起注意) 轻推Page 661 twitch : line 12 [twɪtʃ]If something, especially a part of your body, twitches or if you twitch it, it makes a little jumping movement. (身体等) 抽动2 pierce : line 16[pɪəs]If a sharp object pierces something, or if you pierce something with a sharp object, the object goes into it and makes a hole in it. 刺穿3 menace : line 18['menəs]If you say that someone or something is a menace to other people or things, you mean that person or thing is likely to cause serious harm. 威胁Page 701 compound : line 20['kɒmpaʊnd]A compound is an enclosed area of land that is used for a particular purpose. 作特定用途的围地2 proportion :line 2 from last [prə'pɔːʃ(ə)n]A proportion of a group or an amount is a part of it. 部分[正式]Page 771 drastically : line 1 ['dræstikəli]A drastic change is a very great change. 剧烈的2 eradicate : line 5 [ɪ'rædɪkeɪt]To eradicate something means to get rid of it completely. 根除[正式]3 idiot : line 17['ɪdɪət]If you call someone an idiot, you are showing that you think they are very stupid or have done something very stupid. 笨蛋[表不满]Page 781 crane : line 5[kreɪn]If you crane your neck or head, you stretch your neck in a particular direction in order to see or hear something better. 伸长(脖子)2 delicate : line 13 ['delɪkət]Something that is delicate is small and beautifully shaped. 精巧的; 精美的3 trigger : line 16 ['trɪgə]The trigger of a gun is a small lever which you pull to fire it. 扳机4 recoil : line 18 [rɪ'kɒɪl]If something makes you recoil, you move your body quickly away from it because it frightens, offends, or hurts you. 躲闪; 畏缩Page 791 massage : last line ['mæsɑːʒ; mə'sɑːʒ; -dʒ]Massage is the action of squeezing and rubbing someone's body, as a way of making them relax or reducing their pain. 按摩Page 811 deception : line 3 [dɪ'sepʃ(ə)n]Deceit is behaviour that is deliberately intended to make people believe something which is not true. 欺骗2 buddy ;line 13 ['bʌdɪ]A buddy is a close friend, usually a male friend of a man. 好朋友(常用于男子之间)3 bump : line 19 [bʌmp]If you bump into something or someone, you accidentally hit them while you are moving.Page 821 strip : line 5 [strɪp]A strip of something such as paper, cloth, or food is a long, narrow piece of it. (纸、布或食物的) 条If you strip, you take off your clothes. 脱衣服2 naked : line 5 ['neɪkɪd]Someone who is naked is not wearing any clothes.3 frigid : line 13['frɪdʒɪd]Frigid means extremely cold. 极冷的4 glint : line 13[glɪnt]IIf something glints, it produces or reflects a quick flash of light. 闪光[书面]5 chuckle : line 3 from last['tʃʌk(ə)l]When you chuckle, you laugh quietly. 轻声地笑Page 831 creaky : line2 ['kriːkɪ]If something creaks, it makes a short, high-pitched sound when it moves. 嘎吱作响2 priority : line 6[praɪ'ɒrɪtɪ]If something is a priority, it is the most important thing you have to do or deal with, or must be done or dealt with before everything else you have to do. 优先处理的事2 punch : line 10[pʌn(t)ʃ]If you punch someone or something, you hit them hard with your fist. 用拳猛击3 demonstrate : last line ['demənstreɪt]To demonstrate a fact means to make it clear to people. 证明Page 841 rip : line 6 from last [rip]When something rips or when you rip it, you tear it forcefully with your hands or witha tool such as a knife. 撕; 撕裂2 cage : line 6 from last [keɪdʒ]A cage is a structure of wire or metal bars in which birds or animals are kept. 笼子Page 851 intimidate : line 11[ɪn'tɪmɪdeɪt]If you intimidate someone, you deliberately make them frightened enough to do what you want them to do. 恐吓; 威胁2 dye : line3 from last [daɪ]If you dye something such as hair or cloth, you change its colour by soaking it in a special liquid. 染色3 bellybutton : last line['belɪ,bʌtn]肚脐Page 861 nipple : line 1['nɪp(ə)l]The nipples on someone's body are the two small pieces of slightly hard flesh on their chest. Babies suck milk from their mothers' breasts through their mothers' nipples. 乳头2 groan : line 2 [grəʊn]If you groan, you make a long, low sound because you are in pain, or because you are upset or unhappy about something. 呻吟3 giddy :line 5['gɪdɪ]If you feel giddy, you feel unsteady and think that you are about to fall over, usually because you are not well. 眩晕的4 fatigue : line5 [fə'tiːg]Fatigue is a feeling of extreme physical or mental tiredness. 疲惫5 parlor : line 7 ['pɑrlɚ]客厅;会客室;业务室6 gigantic : line 13 [dʒaɪ'gæntɪk]If you describe something as gigantic, you are emphasizing that it is extremely large in size, amount, or degree. 巨大的[强调]7 stuck : line 18 the past form of stickPage 891 raven : ['reɪv(ə)n]A raven is a large bird with shiny black feathers and a deep harsh call. 渡鸦2 sketch :last line [sketʃ]A sketch is a drawing that is done quickly without a lot of details. Artists often use sketches as a preparation for a more detailed painting or drawing. 草图; 略图; 素描Page 901wedge : line 13[wedʒ]a thing cause cracks 导致分裂的东西If you wedge something, you force it to remain in a particular position by holding it there tightly or by sticking something next to it to prevent it from moving. 把…楔住; 把…抵牢Page 911 unravel : line 5[ʌn'rævl]If you unravel something that is knotted, woven, or knitted, or if it unravels, itbecomes one straight piece again or separates into its different threads. 解开; 拆散2 reprieve : line 5[rɪ'priːv]If someone who has been sentenced in a court is reprieved, their punishment is officially delayed or cancelled. (被判) 缓刑; 撤销3 wince : line 9[wɪns]If you wince, the muscles of your face tighten suddenly because you have felt a pain or because you have just seen, heard, or remembered something unpleasant. (由于疼痛或看见、听到或记起某些不愉快的事而) 龇牙咧嘴4 shield : line 2 from last [ʃiːld]Something or someone which is a shield against a particular danger or risk provides protection from it. 防护物; 保护人Page 921 crawl: line 16[krɔːl]When you crawl, you move forward on your hands and knees2 womb: line 17[wuːm]A woman's womb is the part inside her body where a baby grows before it is born. Page 931 grimace : line 5 from last ['grɪməs; grɪ'meɪs]If you grimace, you twist your face in an ugly way because you are annoyed, disgusted, or in pain. (因不快、厌恶或痛苦等) 扮怪相Page 951 concede: line 8 [kən'siːd]If you concede something, you admit, often unwillingly, that it is true or correct. (常指不情愿地) 承认2 surrender : line13[sə'rendə]If you surrender, you stop fighting or resisting someone and agree that you have been beaten. 投降; 屈服Page 1001 relent : line 8 from last [rɪ'lent]If you relent, you allow someone to do something that you had previously refused to allow them to do. 发慈悲Page 1041 soak :line 4 from last [səʊk]If you soak something or leave it to soak, you put it into a liquid and leave it there. 浸泡Page 1061 stack : line 15[stæk]A stack of things is a pile of them. 摞; 堆Page 1071antagonize line 1[æn'tæɡənaɪz]If you antagonize someone, you make them feel angry or hostile toward you. 使(某人) 对自己产生敌意Page 1081 irritation : line10[ɪrɪ'teɪʃn]Irritation is a feeling of annoyance, especially when something is happening that you。
a r X i v :h e p -p h /0409218v 2 9 M a r 2005LPHEP-04-03September 2004Higgs bosons decay into bottom-strangein two Higgs Doublets ModelsAbdesslam ArhribD´e partement de Math´e matiques,Facult´e des Sciences et TechniquesB.P 416Tanger,Morocco.andLPHEA,D´e partement de Physique,Facult´e des Sciences-Semlalia,B.P.2390Marrakech,Morocco.AbstractWe analyze the decays {h 0,H 0,A 0}→¯s b within two Higgs Doublet Models with Natural Flavor Conservation (2HDM)type I and II.It is found that the Higgs bosons decay into bottom-strange can lead to a branching ratio in the range 10−5→10−3for small tan β≈0.1→0.5and rather light charged Higgs in the 2HDM type I.Whentan β>∼1,one can easily reach a branching ratio of the order 10−5.In 2HDM typeII,without imposing b →sγconstraint,the situation is the same as in 2HDM type I.If b →sγconstraint on charged Higgs mass (M H ±≥350GeV)is imposed,we obtain Br (h 0→¯s b )in the range 10−5–10−6.A comparison between the rates of h 0→¯s b and h 0→γγis made.It is found that in the fermiophobic scenario,h 0→γγis still the dominant decay mode.1IntroductionOne of the goals of the next generation of high energy colliders,such as the large hadroncollider LHC[1]or the linear collider LC[2]or muon colliders,is to probe top Flavor-Changing Neutral Couplings‘top FCNC’as well as the Higgs Flavor-Changing NeutralCouplings‘Higgs FCNC’.FCNC of heavy quarks have been intensively studied both from the theoretical and experimental point of view.Such processes are being well established inthe Standard Model(SM)and are excellent probes for the presence of new physics effectssuch as Supersymmetry,extended Higgs sector and extra fermions families.Within the SM,with one Higgs doublet,the FCNC Z¯t c vanishes at tree-level by theGIM mechanism,while theγ¯t c and g¯t c couplings are zero as a consequence of the unbrokenSU(3)c×U(1)em gauge symmetry.The Higgs FCNC H¯t c and H¯s b couplings also vanish due to the existence of only one Higgs doublet.Both top FCNC and Higgs FCNC aregenerated at one loop level by charged current exchange,but they are very suppressed by the GIM mechanism.The calculation of the branching ratios for top decays yields the SM predictions[3],[4]:Br(t→Zc)=1.3×10−13,Br(t→γc)=4.3×10−13,Br(t→gc)=3.8×10−11,Br(t→Hc)=5.6→3.2×10−14for M H=115→130GeV.(1) While for Higgs FCNC,calculation within SM leads to:Br(H→¯s b)≈10−7(resp10−9)m H=100(resp200)GeVBr(H→¯t c)≈1.5×10−16(resp3×10−13)m H=200(resp500)GeV(2) Many SM extensions predict that these top and Higgs FCNC can be orders of magnitude larger than their SM values(see[5]for an overview).For the Higgs FCNC,an important class of models where Higgs FCNC appear at tree level are the so called Two Higgs Doublet Model without Natural Flavor Conservation(NFC)2HDM-III[6,7,8,9].In this class of models,the branching ratio of h→¯t c can be larger than10%in some cases[7].In the framework of2HDM with NFC type I and II,top and Higgs FCNC have been studied in [10,11].It was shown that in2HDM-II the Br(Φ→¯t c),Φ=h0or H0,may reach10−5 for CP-even states[11].This rate is almost eight orders of magnitude larger than the SM one.Top and Higgs FCNC couplings have been addressed also in supersymmetry[12,13,14,15,16].In those studies it has been shown that Br(h0→¯s b)can be in the range of10−4-10−3. This rate originates mainly from theflavor violation interactions mediated by the gluino [12,14].In case of MSSM with R parity conservation,the top FCNC coupling t→ch0, can reach10−4branching ratio[15]in case offlavour violation induced by gluino.Hence,Higgs and top FCNC offer a good place to search for new physics,which maymanifest itself if those couplings are observed in future experiments such as LHC or LC [1,2].Therefore,models which can enhance those FCNC couplings are welcome.The aim of this paper is to study Higgs FCNC couplings such asΦ→¯s b,Φ=h0,H0,A0,in the framework of NFC two Higgs Doublet Models type I and II.It is found that the branching ratios of Br(Φ→¯s b),Φ=h0,H0,A0,can be greater than>∼10−5in quite asubstantial region of the2HDM parameters space.Br(Φ→¯t c)requires large tanβand light charged Higgs[11]while Br(Φ→¯s b)requires rather small tanβtogether with light charged Higgs and large soft breaking termλ5.We would like to mention here that due to the isolated top quark signature,Higgs FCNC Φ→¯t c event may be easy to search for experimentally.However,it is very difficult to isolate Higgs FCNCΦ→¯s b events from the background.The paper is organized as follows.In the next section,the2HDM is introduced.Rel-evant couplings are given,theoretical and experimental constraints on2HDM parameters are discussed.In the third section,we will study the effects of2HDM on Br(Φ→¯s b) which are evaluated in2HDM-I and2HDM-II.A comparison between Br(h0→¯s b)and Br(h0→γγ)is also discussed.Our conclusion is given in section4.2The2HDMTwo Higgs Doublet Models(2HDM)are formed by adding an extra complex SU(2)L⊗U(1)Y scalar doublet to the SM Lagrangian.Motivations for such a structure include CP–violation in the Higgs sector and the fact that some models of dynamical electroweak symmetry breaking yield the2HDM as their low-energy effective theory[17].The most general2HDM scalar potential which is both SU(2)L⊗U(1)Y and CP in-variant is given by[18]:V(Φ1,Φ2)=λ1(|Φ1|2−v21)2+λ2(|Φ2|2−v22)2+λ3((|Φ1|2−v21)+(|Φ2|2−v22))2+λ4(|Φ1|2|Φ2|2−|Φ+1Φ2|2)+λ5(ℜ(Φ+1Φ2)−v1v2)2+λ6[ℑ(Φ+1Φ2)]2(3) whereΦ1andΦ2have weak hypercharge Y=1,v1and v2are respectively the vacuum expectation values ofΦ1andΦ2and theλi are real–valued parameters.Note that this potential violates the discrete symmetryΦi→−Φi softly by the dimension two term λ5ℜ(Φ+1Φ2).The above scalar potential has8independent parameters(λi)i=1,...,6,v1andv2.After electroweak symmetry breaking,the combination v21+v22is thusfixed by the√electroweak scale through v21+v22=(2H0H+H−=−ig2M Wsin(β−α)(M2H0−M2H±)(5) h0H+H−=−ig2M Wcos(β−α)(M2h0−M2H±)(7) A0H+G−=−g g2(8)We need also the couplings of scalar boson to a pair of fermions both in2HDM-I and 2HDM-II.In those couplings,the relevant terms are as follows:h0¯t t∝M t cosαsinβ,A0¯t t∝M tsinβ,H0¯bb∝M bsinαtanβ2HDM−I(10)h0¯bb∝M b sinαcosβ,A0¯bb∝M b tanβ2HDM−II(11)(H−¯bt)L∝M b tanβ2HDM−I(12) (H−¯bt)L∝M b tanβ,(H−¯bt)R∝M t1718 Figure1:Generic contribution toΦ→f1f2in SM d1→d10,in2HDM d11→d18iv)Unitarity and perturbativity constraints on scalar parameters:It is well known that the unitarity bounds coming from a tree-level analysis[25,26]put severe constraints on all scalar trilinear and quartic couplings.The tree level unitarity bounds are derived with the help of the equivalence theorem,which itself is a high-energy approximation where it is assumed that the energy scale is much larger than the Z0and W±gauge-boson masses.We will use,instead of unitarity constraints,the perturbativity constraints by assuming that allλi satisfy:|λi|≤4π.(14) Those perturbative constraints on theλi allow us to investigate a larger parameter space than the one allowed by unitarity constraints.We would like to mention also that when performing the scan over the2HDM parameters space,we realize that for some points the widthsΓΦof the scalar particles become bigger than their corresponding masses:ΓΦ≥MΦ(Φ=h0,H0,A0,H±).This happens both when we impose tree level unitarity constraints and/or perturbativity constraints.Thewidth becomes large specially when the pure scalar decays like H0→h0h0,H0→H+H−, h0→H+H−,H0→A0A0and h0→A0A0are open.Wefind it is natural to add to the above constraints the requirement that the width of the scalar particles remains smaller than the mass of the corresponding particles:ΓΦ<MΦ(15) From the experimental point of view,the combined null–searches from all four CERN LEP collaborations derive the lower limit M H±≥78.6GeV(95%CL),a limit which applies to all models in which Br(H±→τντ)+Br(H±→c¯s)=1.For the neutral Higgs bosons, OPAL collaboration has put a limit on h0and A0masses of the2HDM.They conclude1e-171e-161e-15 1e-14 1e-13 1e-12 1e-11 1e-10 1e-09M H (GeV)2 Γ(H-->tc)(GeV)2 x Br(H-->tc)1e-101e-091e-08 1e-07 1e-06 1e-05 0.0001 0.001M H (GeV)2 Γ(H-->sb)(GeV)2 Br(H-->sb)Br(H-->µ µ)Figure 2:SM width and Branching ratio for H →¯t c (left)and H →¯s b (right)as a functionof Higgs mass.that the regions 1<∼M h <∼44GeV and 12<∼M A <∼56GeV are excluded at 95%CL independent of αand tan β[27].For simplicity we will assume that all scalar particles masses are >∼90GeV.3Higgs FCNC in 2HDM3.1Higgs FCNC in SMBefore presenting our results in 2HDM,we would like to give the Branching ratio of H →¯t c and H →¯s b in the SM.To our best knowledge,the first calculation for Br (H →¯s b )has been carried out in [28].However,in [28],numerical results have been given only for a very light Higgs boson M H =9GeV.Recently a new estimation,using dimensional analysisand power counting,has appeared both for Br (H →¯s b )[14]and Br (H →¯tc )[11].We refer the reader to [11,14]for more details on those estimations.Here we present exactresult based on diagrammatic calculations both for Br (H →¯s b )and Br (H →¯tc ).We give numerical results for the width as well as for the branching ratio.The Feynman diagrams contributing to those process in SM are depicted in Fig .(1)d 1→d 10.In the case of H →¯t c ,in Fig.(1)(f 1,f 2)=(t,c )and f ′i =d,s,b ,while for H →¯s b(f 1,f 2)is (b,s )and f ′i =u,c,t .The full loop calculation presented here is done with the help of FormCalc [29].FF and LoopTools packages [30]are used in numerical analysis.The numerical results shown in eqs.(1,2)is derived by FormCalc [29].In the SM,as expected,the branching ratio of H →¯t c and H →¯s b are very suppresseddue to GIM mechanism.The branching ratio is very small in both cases for higher Higgs mass M H ≥2M Z where H →W +W −and H →Z 0Z 0are open.Both in SM and 2HDM,the decay widths ΓSM Φand Γ2HDMΦof scalar particles:Φ=H SM ,h0,H0,A0and H±are computed at tree level as follows:ΓSMΦ=fΓ(Φ→f¯f)+Γ(Φ→V V)Γ2HDMΦ=fΓ(Φ→f¯f)+Γ(Φ→V V)+Γ(Φ→V H i)+Γ(Φ→H i H j)(16)QCD corrections toΦ→f¯f andΦ→{gg,γγ,γZ,V∗V∗,V V∗,V∗H i}decays are not included in the widths.The decay widths of the Higgs bosons are taken from[31]. For a Higgs mass heavier than250GeV,we get branching ratio of the order10−14→10−12(resp10−10→10−9)for H→¯t c(resp H→¯s b).In the case of H→¯s b,the branching ratio is enhanced for Higgs boson mass of the order M H≈100→120GeV where the width of the Higgs is very narrow.We have plotted in Fig.(2)both the decay width and the branching ratios of H→¯t c(left plot)and H→¯s b (right plot)as well as the branching ratio of H→µ+µ−.As it can be seen from the right plot Br(H→¯s b)is two orders of magnitude smaller than Br(H→µ+µ−).Since the decay width of H→¯t c is very suppressed,the threshold for t¯t production is absent in Fig.2(left).The situation is slightly different for H→¯s b where the decay width of H→¯s b is about6order of magnitude larger than decay width of H→¯t c.From the right plot of Fig.(2)one can see that the Br of H→¯s b is smaller once the t¯t threshold has been passed.3.2h0→¯s bTurning now to the2HDM Higgs bosons FCNC couplingsΦ→¯s b,Φ=h0,H0,A0.The Feynman diagrams are depicted in Fig.(1).The amplitude is sensitive to theΦH+H−and ΦH±G∓couplings through diagrams d12,13,14as well as to theΦt¯t and(H−¯bt)L,R couplings through diagrams d11,12,13,14.In2HDM,it is expected that the dominant contribution to the amplitude ofΦ0→¯s b comes from diagram d12.The amplitude of d12is proportional to the trilinear Higgs couplingΦ0H+H−and is given by(Φ=h0,H0):M d12=Φ0H+H−αV tstan2βM b2u(M b)(17)where we have neglected the strange quark mass.In the conventions of[29],the arguments of the Passarino-Veltman functions C i are{M2b,M2s,M2Φ,M2H±,M2t,M2H±}.The Yukawa coupling Y b of the bottom is model dependant and is given by Y b=−1/tanβ(resp Y b= tanβ)for2HDM-I(resp2HDM-II).In2HDM-I,1+tanβY b=0,the amplitude of d12is enhanced by M2tλ5−5−6H +M (GeV)H +M (GeV)λ5Figure 3:Contours for 2×Br (h 0→¯s b )in 2HDM-II tan β=0.3(left),tan β=1.5(right)in the (M H ±,λ5)plane with M h =110GeV,M H =180GeV,sin α=0.1and M A 0=M H ±We also give other numerical results for specific 2HDM parameters where Br (h 0→¯s b )and Br (H 0→¯s b )get their maximum values without violating δρand perturbativity constraints.We show in Fig.(3)contour plots for Br (h 0→¯s b )in 2HDM-II tan β=0.3(left)and tan β=1.5GeV (right)in the (M H ±,λ5)plane.λ5is varied in the perturbative range |λ5|<4π.The other inputs are M h =110GeV,M H =180GeV,sin α=0.1and M A 0=M H ±.The width Γh 0is computed at tree level according to eq.(16).Since the mass of h 0is taken at 110GeV,only light fermions contribute to Γh 0and so the width is very narrow and is of the order 57×10−4(resp 83×10−5GeV)at tan β=0.3(resp tan β=1.5).Such narrow width could enhance the branching ratio Br (h 0→¯s b ).We would like to mention first that for this set of parameters,the perturbativity of scalar quartic couplings λi is violated around λ5>∼5.5.We get |λ1|>4πfor tan β=0.3,while for tan β=1.5there is no such bound.Large branching ratios can be obtained for light charged Higgs mass.This can be seen in the left panel black and blue areas of Fig.(3)which correspond to small tan β=0.3and large |λ5|.In those areas the coupling h 0H +H −gets its largest value (see also Fig.(4)).In this case one can obtain branching ratio in the range:10−4<Br (h 0→¯s b )<6×10−4for M H ±<200GeV ,λ5<∼−1.2and λ5>∼3.For charged Higgs mass greater than 200GeV,there is also a region where the branching ratio can be in the range 10−5→10−4.This can be achieved by taking large and negative λ5<∼−1.In the case of positive λ5andM H ±>∼250GeV,the branching ratio decreases to a value <∼10−5.When tan β=1.5,the coupling h 0t ¯tis reduced,and we are left only with a small region where the branching ratio Br (h 0→¯s b )is of the order 10−5→10−4for M H ±<∼250GeV and large |λ5|>∼5.In both plots (left and right),the coupling h 0H +H −reaches itsM h M H M H±M Aλ52×Γ¯s b2×Γγγ−.98.210−37×10−46×10−36×10−35×10−35×10−3140 34011010064×10−62×10−610−410−4−.98.4610−32×10−47×10−32×10−32×10−37×10−3115 2501101905×10−45×10−510−410−4.18.19×10−410−32×10−43×10−3.525×10−2Table1:Maximum Branching ratios of h0→¯s b in2HDM-I and II and corresponding 2HDM parameters,all masses and decay width are in GeV.In Br and widthsΓcolumns, the upper row is for2HDM-I and the down row is for2HDM-IIminimal value in the region whereλ5≈0→2,which explains why the branching ratio is so small in this region.Now we turn to the case where M H±=M A,δρ=0.We have performed a system-atic scan over the full2HDM parameters space taking into accountδρand perturbativity constraints.The maximum branching ratios found for h0→¯s b in2HDM-I and II are displayed in table1.We show not only width and Br of h0→¯s b but also the width and Br of h0→γγfor comparison.The total width of the HiggsΓh0is also given.WhenΓh0 becomes comparable to the width of h0→¯s b and/or h0→γγ,those decays widths have to be included in the total widthΓh0in order to compute the Br¯s b and Brγγ.Thefirst three columns of table1are for2HDM parameters.From4th to8th columns we give Br and widths.In those columns,the upper row is for2HDM-I and the down row is for2HDM-II.In2HDM-I,Br(h0→¯s b)of the order10−3can be reached in the limit sinα→−0.98 (α→−π/2)and small tanβ≤0.5.In fact,this limit(α→−π/2)is very close to fermiophobic scenarioα=±π/2.In the fermiophobic limit,all couplings of h0to down quarks and leptons are suppressed eq.(10).In this limit,h0¯t t is also suppressed eq.(9).The width of light Higgs h0(M h<160GeV)is then very tiny in the limit sinα→−0.98.This tiny width together with large h0H+H−are the sources of enhancement of the Br(h0→¯s b) to10−3level.This can be seen in thefirst,second and third lines of table1In2HDM-II,the couplings of h0to down quarks and leptons are suppressed for sinα≈0.1 eq.(11).Hence,the width of light Higgs(M h<160GeV)is very tiny in the limit sinα≈0.1.Moreover,in this limit,the coupling h0¯t t is enhanced in both models2HDM-I and II.The decay widthΓ(h0→¯s b)which was≈10−6for sinα=−0.98is of the order ≈10−5for sinα=0.1.Consequently,the Br(h0→¯s b)reaches10−3.1e-081e-071e-06 1e-05 0.0001 0.001 0.01 0.1B r λ5h 0-->sb: 2HDMI h 0-->sb: 2HDMII h 0-->γγ: 2HDMI h 0-->γγ: 2HDMII1e-111e-10 1e-09 1e-08 1e-07 1e-06 1e-05 0.0001 0.001 0.01B rλ5h 0-->sb: 2HDMI h 0-->sb: 2HDMIIh 0-->γγ: 2HDMIh 0-->γγ: 2HDMII Figure 4:2×Br (h 0→γγ)and 2×Br (h 0→¯s b )in 2HDM-I and II,m H ±=100GeV,tan β=0.3(left)and tan β=5(right).All the other parameters are the same as in Fig.(3).In this scenario,as one can see from table 1,the Br(h 0→γγ)in 2HDM-I is 2×10−4which is smaller than Br(h 0→¯s b )=9×10−4.This is mainly due to the fact that the trilinear coupling h 0H +H −is very suppressed in this scenario (see more details in next section).As one can see from the last line of the table 1,there exist also values of sin α=0.18,far from fermiophobic scenario but with small λ5=0,where Br(h 0→¯s b )can be of the order 10−3.3.3Can h 0→¯s b compete with h 0→γγ?It is well known that the decay h 0→γγis loop induced and so is suppressed.In the SM,the branching ratio Br (H SM →γγ)is about ≈10−3for Higgs mass in the range M H =100→160GeV.Hence,with maximum branching ratio for h 0→¯s b of the order 1×10−4→6×10−4in 2HDM-I or II,it is legitimate to compare h 0→γγand h 0→¯s b in 2HDM-I or II.Of course,even if h 0→¯s b and h 0→γγhas a competitive branching ratio,we should keep in mind that h 0→γγdecay has a clear signature while the FCNC decay h 0→¯s b has not.We illustrate in Fig.(4)the branching ratio for h 0→¯s b and h 0→γγboth in 2HDM-I and II.The charged Higgs mass is fixed to 100GeV.It is clear that in the case tan β=0.3h 0→γγis about one order of magnitude bigger than h 0→¯s b .While,in the case of tan β=5h 0→γγis more than four orders of magnitude bigger than h 0→¯s b .This is because at tan β=0.3(resp tan β=5)the W loop are suppressed by a factor h 0W +W −∝sin(β−α)≈0.2(resp enhanced by h 0W +W −∝sin(β−α)≈0.96).All the dips observed in the plots correspond to the minimum of the coupling h 0H −H +.Those dips are not located at the same λ5,this is due to a destructive interference with others diagrams.H +M (GeV)λ5H +M (GeV)Figure 5:Contours for 2×Br (H 0→¯s b )in 2HDM-II in the plan (M H ±,λ5)M H =140GeV (left),(M H ±,M H )λ5=5(right)with tan β=0.3,M h =110GeV,sin α=0.95and M A 0=M H ±When h 0H −H +coupling is very suppressed,it may be possible that the Br(h 0→¯s b )could be higher than Br(h 0→γγ)as it can be seen both in the left plot of Fig.(4)for λ5=2.5and in table 1for sin α=0.1in 2HDM-II.However,even if Br(h 0→γγ)and Br(h 0→¯s b )become comparable,we should keep in mind that h 0→γγhas a very clear signature while h 0→¯s b does not.An interesting feature of the 2HDM-I,is its fermiophobic scenario.The light CP-even Higgs h 0of the 2HDM-I is fermiophobic in the limit α→π/2,all h 0couplings to fermions vanishes for α=π/2[32,18].If h 0,with a mass in the range 100→160GeV,is fermiophobic the dominant decay mode is h 0→γγ.It has been shown in Ref.[33]that in the fermiophobic limit,the branching ratio of the one loop induced decay h 0→¯bb ∗is below 10%→30%.As the decay h 0→¯s b is concerned,we have checked by systematic scan that in the fermiophobic limit,the decay width of h 0→γγis more than one order of magnitude bigger than the width of h 0→¯s b .3.4H 0→¯s bWe now discuss the heavy CP-even decay H 0→¯s b .Our numerical results are shown inFig.(5).To maximize the coupling H 0¯tt ,we choose of course small tan β≈0.3and large sin α≈0.95.In the right plot of Fig.(5),we show contour plots for Br (H 0→¯s b )in the plane (M H ±,λ5)for M H =140GeV.For CP-even Higgs mass 140GeV,H 0→W +W −,H 0→ZZ ,H 0→¯tt ,H 0→A 0Z and H 0→H i H j are not yet open,and so the width is narrow.In particular,for the set of parameters fixed here:M h =110GeV,sin α=0.95M h M H M H±M Aλ52×Γ¯s b2×Γγγ.1.510−34×10−53×10−210−34×10−48×10−3100 155115103-610−66×10−72×10−52×10−5.08.452×10−38×10−5.733×10−23×10−48×10−3100 1251151035×10−46×10−52×10−42×10−4.9.110−310−32×10−42×10−3.515×10−2100 1451151032×10−43×10−52×10−43×10−41e-121e-11 1e-10 1e-09 1e-08 1e-07 1e-06 1e-050.00010.001B r (A 0-->s b )M Atan β=0.2tan β=0.3tan β=1.5tan β=60 0.0010.010.1 1 10 100 1000ΓA 0 (G e V )M Atan β=0.2tan β=0.3tan β=1.5tan β=60Figure 6:2×Br (A 0→¯s b )(left)and CP-odd A 0width ΓA 0(right)as function of M A for several values of tan βto down quarks and leptons are suppressed for sin α≈0.1(resp |sin α|≈0.9).In those cases the total Higgs width is very tiny and so the branching ratio of H 0→¯s b is enhanced.Of course,Br(H 0→¯s b )reach 10−3only for light charged Higgs,which is strongly disfavored by b →sγconstraint [24]in 2HDM-II.From table 2,one can see also that in 2HDM-II and for sin α≈{0.9,−0.98}the Br(H 0→¯s b )and Br(H 0→γγ)are of comparable size.This is again mainly due to the suppression of the coupling H 0H +H −in those limits.As in the case of light CP-even Higgs h 0,there exist values of sin α=−0.58far from fermiophobic limit with small λ5=0where Br(H 0→¯s b )can reach 10−3.3.5A 0→¯s bLet us now look at 2HDM contribution to A 0→¯s b .Since A 0is CP-odd,it does not couple to a pair of charged Higgs.The only pure trilinear scalar coupling which contributes to A 0→¯s b is A 0H ±G ∓eq.(8).Unlike the couplings H 0H +H −and h 0H +H −eqs (4,6),which depend both on Higgs masses,tan βas well as the soft breaking term λ5,the couplingA 0H ±G ∓depends only on the splitting M 2H ±−M 2A .As mentioned above,such splitting should not be too large,otherwise the δρconstraint is not satisfied.As one can readfrom eqs.(9,13),the couplings A 0¯t t and (H −¯bt )R are proportional to M t /tan β.Henceenhancement is expected at small tan β.As we stressed before,our 2HDM parameters in this case are:tan β,M A and M H ±.For simplification,we use the MSSM sum-rules to fix charged Higgs mass and αby using tan β,CP-odd mass M A and a SUSY scale which we take at 1TeV.CP-odd mass will be varied from 100GeV to 600GeV without worrying about perturbativity.tan βis taken to be >∼0.1.We present our numerical results for A 0→¯s b in 2HDM-II in Fig.(6).As can be seenfrom the left plot,the Branching ratio Br(A0→¯s b)is greater than10−5only for small tanβ≈0.1→0.35and light M A and M H±.For light M A<∼200GeV and low tanβ<∼1, the width of A0is still small and so the branching ratio is enhanced.For M A>∼200GeV, the decay A0→h0Z is open and the decay widthΓA0increases.Therefore,the branching ratio is reduced.Note that for tanβ=0.2,we cut offthe curve at M A≈400GeV where the widthΓA0starts to be greater than M A.At large tanβ,due to the bottom Yukawa coupling,both the partial widthΓ(A0→¯s b)and total widthΓA0are enhanced,and the branching ratio is saturated in the range[10−6,10−5].The situation is almost the same in2HDM-I.4ConclusionsIn the framework of the2HDM with naturalflavor conservation,we have studied various Higgs FCNCΦ→¯s b.The study has been carried out taking into account the experimental constraint on theρparameter and also perturbativity constraints on all the scalar quartic couplingsλi.Numerical results for the branching ratios have been discussed.We empha-sized the effect coming from both top and bottom Yukawa couplings and pure trilinear scalar couplings such as h0H+H−and H0H+H−.We have shown that,in2HDM-I and2HDM-II,the branching ratios of Higgs FCNC {h0,H0,A0}→¯s b are enhanced to the range of10−4→7×10−4for small tanβ,rather light charged Higgs boson and large soft breaking termλ5.The branching ratio of Br({h0,H0}→¯s b)can be pushed to10−3level when sinαis close to fermiophobic limit(sinα≈−0.98) or sinα≈0.1and even for sinαfar from those limits but with smallλ5=0. Charged Higgs mass of2HDM-I is not constrained by b→sγ,Br({h0,H0}→¯s b)can be of the order10−4→10−3for light charged Higgs which is comparable to size of SUSY pre-dictions[12,14].Those branching ratios rates,could still leads to large number of events at LHC[11].In2HDM-II with b→sγconstraint,branching ratios of{h0,H0}→¯s b are smaller than 10−5(resp10−4)for tanβ>1(resp tanβ<1).In the case of light CP-even m h0≈100→160GeV,we have also shown that the branching ratio of Br(h0→¯s b)is well below Br(h0→γγ)in most of the case.This is also the case in the fermiophobic scenario of2HDM-I.One interesting scenario is that both Br(h0→γγ)and Br(h0→¯s b)develop a dips for someλ5(see Fig.4).Those dips are not located at the sameλ5due to the presence of diagrams which contribute to h0→¯s b but not to h0→γγ.The dip for Br(h0→¯s b)is located forλ5=1while for Br(h0→γγ)it is located forλ5≈2.5.Forλ5≈2.5,we are already away from Br(h0→¯s b)dip,the Br(h0→¯s b)is slightly higher than Br(h0→γγ).Acknowledgments This work was done within the framework of the Associate Scheme of ICTP.Thanks to Thomas Hahn for his help.We also want to thank Andrew Akeroyd for discussions and for reading the manuscript.References[1]M.Beneke,I.Efthymipopulos,M.L.Mangano,J.Womersley(conveners)et al.,reportin the Workshop on Standard Model Physics(and more)at the LHC,Geneva,hep-ph/0003033[2]J.A.Aguilar-Saavedra et al.[ECFA/DESY LC Physics Working Group Collabora-tion],arXiv:hep-ph/0106315.[3]G.Eilam,J.L.Hewett and A.Soni,Phys.Rev.D44(1991)1473[Erratum-ibid.D59(1999)039901].[4]B.Mele,S.Petrarca and A.Soddu,Phys.Lett.B435,401(1998)[5]J.A.Aguilar-Saavedra,Acta Phys.Polon.B35(2004)2695[arXiv:hep-ph/0409342].E.W.N.Glover et al.,Acta Phys.Polon.B35(2004)2671[arXiv:hep-ph/0410110].0409342,0410110[6]T.P.Cheng and M.Sher,Phys.Rev.D35,3484(1987).[7]W.S.Hou,Phys.Lett.B296,179(1992).[8]D.Atwood,L.Reina and A.Soni,Phys.Rev.D55,3156(1997)[9]D.Atwood,L.Reina and A.Soni,Phys.Rev.D53,1199(1996)[arXiv:hep-ph/9506243].W.S.Hou,G.L.Lin and C.Y.Ma,Phys.Rev.D56,7434(1997). [10]S.B´e jar,J.Guasch and J.Sol`a,Nucl.Phys.B600,21(2001)[arXiv:hep-ph/0011091];[arXiv:hep-ph/0101294].[11]S.B´e jar,J.Guasch and J.Sol`a,Nucl.Phys.B675,270(2003).[12]A.M.Curiel,M.J.Herrero,W.Hollik,F.Merz and S.Pe˜n aranda,Phys.Rev.D69,075009(2004).A.M.Curiel,M.J.Herrero and D.Temes,Phys.Rev.D67,075008 (2003).[13]D.A.Demir,Phys.Lett.B571,193(2003).[14]S.B´e jar,F.Dilme,J.Guasch and J.Sol`a,JHEP0408,018(2004).[15]J.Guasch and J.Sol`a,Nucl.Phys.B562,3(1999)[arXiv:hep-ph/9906268].[16]J.M.Yang,B.Young and X.Zhang,Phys.Rev.D58,055001(1998)G.Eilam,A.Gemintern,T.Han,J.M.Yang and X.Zhang,Phys.Lett.B510,227(2001)[arXiv:hep-ph/0102037];J.M.Yang and C.S.Li,Phys.Rev.D49,3412(1994) [Erratum-ibid.D51,3974(1995)].[17]H.J.He,C.T.Hill and T.M.Tait,Phys.Rev.D65,055006(2002).。
a r X i v :c o n d -m a t /9512099v 1 12 D e c 1995Conformal Field Theory Approach to the Kondo Effect ∗Ian AffleckCanadian Institute for Advanced Research and Physics Department,University of British Columbia,Vancouver,BC,V6T 1Z1,CanadaRecently,a new approach,based on boundary conformal field theory,has been applied to a variety of quantum impurity problems in condensed matter and particle physics.A particularly enlightening example is the multi-channel Kondo problem.In this review some earlier approaches to the Kondo problem are discussed,the needed material on boundary conformal field theory is developed and then this new method is applied to the multi-channel Kondo problem.OUTLINEI.Renormalization Group and Fermi Liquid Approaches to the Kondo Effect A)Introduction to The Kondo Effect B)Renormalization Group Approach C)Mapping to a One Dimensional Model D)Fermi Liquid Approach at Low TII.Conformal Field Theory (“Luttinger Liquid”)Techniques:Separation of Charge and Spin De-grees of Freedom,Current Algebra,“Gluing Conditions”,Finite-Size SpectrumIII.Conformal Field Theory Approach to the Kondo Effect:“Completing the Square”A)Leading Irrelevant Operator,Specific Heat,Susceptibility,Wilson Ratio,Resistivity at T >0IV.Introduction to the Multi-Channel Kondo Effect:Underscreening and Overscreening A)Large-k LimitB)Current Algebra Approach V.Boundary Conformal Field TheoryVI.Boundary Conformal Field Theory Results on the Multi-Channel Kondo Effect:A)Fusion and the Finite-Size Spectrum B)Impurity EntropyC)Boundary Green’s Functions:Two-Point Functions,T=0Resistivity D)Four-Point Boundary Green’s Functions,Spin-Density Green’s Function E)Boundary Operator Content and Leading Irrelevant Operator:Specific Heat,Susceptibility,Wilson Ratio,Resistivity at T >0I.RENORMALIZATION GROUP AND FERMI LIQUID APPROACHES TO THE KONDO EFFECTA.Introduction to the Kondo EffectMost mechanisms contributing to the resistivity of metals,ρ(T),give eitherρ(T)decreasing to0, as T→0(phonons or electron-electron interactions),orρ(T)→constant,as T→0(non-magnetricimpurities).However,metals containing magnetic impurities show aρ(T)which increases as T→0.This was explained by Kondo1in1964using a simple Hamiltonian:H= kαψ†α kψ kαǫ(k)+λ S· k k′ψ† k σ+...]2(1.2)THere D is the band-width,νthe density of states.This result stimulated an enormous amount oftheoretical work.As Nozi`e res put it,“Theorists‘diverged’on their own,leaving the experimentrealities way behind”.2What happens at low T,i.e.T∼T K=De−1ψ( 0,t) ,2where thefields are in the interaction picture.EFk F2D’Ek2DFIG.1.Reduction of the cut-offfrom D to D ′.As S(t )is independent of t ,we simply multiply powers of S using [S a ,S b ]=iǫabc S c ,S2=s (s +1).We must time-order S ’s which don’t commute.The first few diagrams are shown in Figure (2).In 2nd order in λ,we have:−λ22ψ(t )ψ†(t ′)σb2λ2dt dt ′ψ†σa2ψT ψ(t )ψ†(t ′) (θ(t −t ′)S a S b +θ(t ′−t )S b S a )=λ22ψ· Ssn(t −t ′) ψ(t )ψ†(t ′) ,(1.3)where sn (t −t ′)is the sign-function which arises from T -ordering spins.FIG.2.Feynman diagrams contributing to renormalization of the Kondo coupling constant to third order.We see that the integraldtǫ(t )G (t )=−idt(2π)3dωiω+δ+1ω−ǫk +iδsn(ǫk )(1.5)=d 3 k|ǫk |≈2νDD ′dǫD ′.(1.6)Thusδλ=νλ2lnDd ln D=−νλ2.(1.8)We see that lowering the band cut-offincreases λor,defining a length-dependent cut-off,l ∼v F /D ,dλ1−νλ0lnD 0νλ0,If λ0<0(ferromag-netic),λeff(D )→0.See Figure(3).effλFIG.3.RG flow of the Kondo coupling.The behaviour at temperature T is determined by λeff(T ):ρ(T )→0as T →0for the ferromag-netic case.What happens for the antiferromagnetic case?C.Mapping to a One-Dimensional ModelThe above discussion can be simplified if we map the model into a one dimensional one.Weassume a spherically symmetricǫ( k),ǫ(k)=k2√2ψ0,k′· S,(1.12)whereν=k2F/2π2v F is the density of states per spin.This can also be written in terms of radialco-ordinate.We eliminate all modes except for a band width2D:|k−k F|<D.Defining left andright movers(incoming and outgoing waves),ΨL,R(r)≡ ∧−∧dke±ikrψ0(k+k F),⇒ψL(0)=ψR(0),(1.13) we haveH0=v FdrψL−ψ†R i d2ψL(0)· S.(1.14)Here we have redefined a dimensionless Kondo coupling,λ→λν.Using the notationψL=ψL(x,τ)=ψL(z=τ+ix),ψR(x,τ)=ψR(z∗=τ−ix),(1.15) whereτis imaginary time and x=r,(and we set v F=1)we haveψL(z)ψ+L(0) =1z∗.(1.16) Alternatively,sinceψL(0,τ)=ψR(0,τ)ψL=ψL(z),ψR=ψR(z∗),(1.17) we may considerψR to be the continuation ofψL to the negative r-axis:ψR(x,τ)≡ψL(−x,τ).(1.18) Now we obtain a relativistic(1+1)dimensionalfield theory(a“chiral”one,containing left-moversonly)interacting with the impurity at x=0withH0=v FdxψL(1.19)and H INT as in Eq.(1.14).See Figure(4).LLL RFIG.4.Reflecting the left-movers to the negative axis.D.Fermi Liquid Approach at Low TWhat is the T →0behavior of the antiferromagetic Kondo model?The simplest assumption is λeff→∞.But what does that really mean?Consider the strong coupling limit of a lattice model,2for convenience,in spatial dimension D =1.(D doesn’t really matter since we can always reduce the model to D =1.)H =ti(ψ†i ψi +1+ψ†i +1ψi )+λ S ·ψ†0σl(n +1/2)λ=∞:k =πnNear the Fermi surface the energies are linearly spaced.Assuming particle-hole symmetry,the Fermi energy lies midway between levels or on a level.[See Figures(5)and(6).]The two situations switch with the phase shift.Wilson’s numerical RG scheme3involves calculating the low-lying spectrum numerically and looking for this shift.This indicates thatλrenormalizes to∞even if it is initially small.However,now we expect the screening to take place over a longer length scaleξ∼v FDe1/νλ.(1.24)In other words,the wave function of the screening electron has this scale.We get low energy Bloch states of free electrons only for|k−k F|<<1/ξ(so we must take l>>ξ).[See Figure(7).]The free electron theory with a phase shift corresponds to a universal stable low energyfixed point for the Kondo problem.This observation determines the T=0resistivity for an array of Kondo impurities at random locations of low density n i.It is the same as for non-magnetic s-wave scatterers with a π/2phase shift at the Fermi energy.δ=π/2gives the so-called unitary limit resistivity:ρu=3n ik-kFconditions.FIG.6.Free fermion energy levels with periodic boundary1k-kFFIG.7.Non-interacting Bloch states with a vanishing boundary condition occur for|k−k F|<<v F/T K.The low-T behaviour,so far,seems trivial.Much of the interesting behaviour comes from the leading irrelevant operator.The impurity spin has disappeared(screened)from the description ofthe low-T physics.However certain interactions between electrons are generated(at the impuritysite only)in the process of eliminating the impurity spin.We can determine these by simply writingthe lowest dimension operators allowed by symmetry.It is simplest to work in the1D formulation,with left-movers only.We write the interaction in terms ofψL,obeying the new boundary condition(but notψL+....(1.26)dxThe length and time dimensions are equivalent(we convert with v F),[H]=E⇒[ψ]=E1The interactions are localδH= iλi O i(x=0),[λi]+[O i]=1.Soλi has negative energy dimension if[O i]>1,implying that it is irrelevant.In RG theory one usually defines a dimensionless coupling constant by multiplying powers of the cut-offD,if[λi]=E−a,˜λi≡λi D a,˜λidecreases as we lower D:d˜λidx ψα(0)−id3v FlT+aT3v FT+ln2.(1.30)At low T,the impurity entropy decreases to0:S(T)=πlT K.(1.31)In general we may write:S(T)−πl2πv F +b2πv F +12πv F +1ln(T/T K)+... .(1.35)In general,we may write:χ−lTf(T/T K),(1.36)where f(T/T K)is another universal scaling function.See Figure(9).T KKTKln (T/T )4T+...Tχ 1 - 1imp1bFIG.9.Qualitative behaviour of the impurity susceptibility.The temperature dependent part of the low T resistivity for the dilute random array is 2nd orderin perturbation theory,ρ=ρu [1−dTWe start by considering a left-moving spinless fermion field with Hamiltonian density:H =1dxψL .(2.1)Define the current (=density)operator,J L (x −t )=:ψ+L ψL :(x,t )=lim ǫ→0[ψL (x )ψL (x +ǫ)− 0|ψL (x )ψL (x +ǫ)|0 ](2.2)(Henceforth we generally drop the subscripts “L”.)We will reformulate the theory in terms ofcurrents (key to bosonization).Consider:J (x )J (x +ǫ)asǫ→0=:ψ†(x )ψ(x )ψ†(x +ǫ)ψ(x +ǫ):+[:ψ†(x )ψ(x +ǫ):+:ψ(x )ψ†(x +ǫ):]G (ǫ)+G (ǫ)2G (ǫ)= 0|ψ(x )ψ†(x +ǫ)|0 =1ǫ2]=lim ǫ→01dxψ:H =1(x −y −iδ)2+1dx1x −y +iδ=2πid2∂φ2∂φ∂tφ(y )]=iδ(x −y )(2.7)We can again decompose it into the left and right-moving parts,(∂t 2−∂x 2)φ=(∂t +∂x )(∂t −∂x )φφ(x,t )=φL (x +t )+φR (x −t )(∂t −∂x )φL ≡∂−φL =0,∂+φR =0H =14(∂+φ)2=14(∂+φL )2(2.8)Consider the Hamiltonian density for a left-moving boson field:H =1dxδ(x −y )(2.9)Comparing to the Fermionic case,we see that:J L =√π∂+φ,(2.10)12since the commutation relations and Hamiltonian are the same.That means the operators are the same with appropriate boundary conditions.Let’s compare the spectra.For the Fermionic case,choose boundary condition:ψ(l)=−ψ(−l)(i.e.ψL(l)+ψR(l)=0),k=π2),n=0,±1,±2...(2.11)[See Figure(5).Note that we have shifted k by k F.]Consider the minimum energy state of chargeQ(relative to the ground state).See Figure(11).We have the single Fermion energy:E=v F k,(2.12) so:E(Q)=v F π2)=v Fπl ( 1k-kFFIG.12.A particle-hole excitation in which three electrons are raised four levels and then one electron is raised three levels.Now consider the bosonic spectrum.What are the boundary conditions?Try the periodic one,φ(l)=φ(−l)⇒k=πml (∞ 1n m·m),n m=occupation number:0,1,2,...(2.16)Where does the Q2term in Eq.(2.14)come from?We need more general boundary condition on the bosonfield.Letφbe an angular variable:φL(−l)=φL(l)+√πl·(x+t)+∞m=114πm(e−iπm2 ∂φ2 ∂φl[14πφL,(2.19) which gives the correct Green’s function and implies the same angular definition ofφL.For the Kondo effect we are also interested in the phase-shifted boundary condition:[See Figure(6).]ψL(l)=+ψL(−l),k=πl Q(Q−1)We have the degenerate ground state,Q=0or1,which correspond to an anti-periodic boundary condition onφ,φ(l)=φ(−l)+√2)E=π2(Q−1l(1dxψα,(α=1,2,summed).(2.22)Now we have charge and spin currents(or densities).We can write H in a manifestly SU(2)invariant way,quadratic in charge and spin currents:J=:ψα†ψα:, J=ψ†ασβα4:ψ†αψαψ†βψβ:+3idxψα+c-number,J2=:ψ†αψαψ†βψβ:+2iψα+d8πJ2+12[J↑+J↓,J↑−J↓]=0.(2.26) From[J, J]=0,we see that H is sum of commuting charge and spin parts.[J a(x),J b(y)]=2πψ†[σ2b]ψ·δ(x−y)+tr[σ2b]2πiddxδ(x−y).(2.27)We obtain the Kac-Moody algebra of central charge k=1.More generally the coefficient of the second term is multiplied by an integer k.Fourier transforming,Jn≡1lx J(x),[J an,J b m]=iǫabc J c n+m+1l18πJ2+14π(J2↑+J2↓)=14[(∂+(φ↑+φ↓2))2+(∂+(φ↑−φ↓2))2] =1Now we have introduced two commuting charge and spin free massless bosons.SU(2)symmetry is now concealed but boundary condition on φs must respect it.Consider the spectrum of fermion theory with boundary condition:ψ(l )=−ψ(−l ),E =πV22+Q ↓2(Q ↑−Q ↓)E =πv F4Q 2+(S z )2+∞ 1mn c m+∞1mn s m ](2.32)=E c +E sφc =√2√l (x +t )+...φs=π2S zl[1l[12),(±1,0).(2.36)Now Q =2S z +1(mod 2);i.e.we “glue”together charge and spin excitations in two different ways,either(even,integer)⊕(odd,half-integer)or (even,half-integer)⊕(odd,integer),(2.37)depending on the boundary conditions.Theπl·(integer).Likewise for all half-integer spin states,(s z )2=1dxψLα+λψ†αLσβα8πJ 2+1The Kondo interaction involves spinfields only,not chargefields:H=H s+H c.Henceforth we only consider the spin part.In Fourier transformed form,H s=π3∞ n=−∞ J−n· J n+λ∞ n=−∞ J n· S)[J a n,J b m]=iǫabc J c n+m+ndlnD =−λ2+···.That is a smallλ>0grows.What is the infrared stablefixed point?Considerλ=23l∞ n=−∞[( J−n+ S)·( J n+ S)−32δabδn,−m.(3.4)H is quadratic in the new currents, J n≡ J n+ S,which obey the same Kac-Moody algebra!Whatis the spectrum of H(λ=21−32-Integer.See Figure(13).This is equivalent to aπ2-integer)(even,16πJ(x)2+λ1 J(0)2δ(x).(3.9)This is the only dimension-2rotationally invariant operator in the spin sector.We have succeededin reducing two dimension-2operators to one.The other one is the charge-operatorλ2J(0)2δ(x),λ2=0because there is no interaction in the charge sector(with other regularization we expectλ1∼1D<<λ1).171/2 integer-s tower towerinteger-s FIG.13.At λ=2/3the 1/2-integer-spin conformal tower is mapped into the integer-spin conformal tower.Now we calculate the specific heat and susceptibility to 1st order in λ1.Susceptibility of left-moving free fermions:0-th orderM =12)−n (ǫ−h2π(forT <<D )1st order χ=13T 2[dx J(x )]2 J (0)2 +...(3.10)A simplifying trick is to replace:δH =λ1 J2(0)δ(x )−→λ16π+λ1l)H.(3.13)Equivalently in a thermal average,T →Tl≡T (λ1)(3.14)χ(λ1,T )=11+3πλ1/l χ(0,T (λ1))≈[1−3πλ12π−3λ1where in the last equality thefirst term represents the bulk part and the second one,of order∼13.(3.16) Each free left-moving boson makes an identical contribution.1st order inλ1C s(λ1,T)=∂3T3−π2λ1T(3.17)δC sl =2δC sδC/C =2=C8π2r1r2[e−ik F(r1+r2)(G LR(r1,r2)−G LR,0(r1,r2))+h.c.]=G03(r1)ΣG03(r2).(3.20) The self-energyΣdepends only on the frequency.It gets multiplied by the impurity concentationfor afinite density(in the dilute limit).We must calculate the1D Green’s function G LR(r1,r2,ω) perturbatively inλO(λ01):G LR(r1,r2)=−G0LL(r1,−r2)=−G0LL(r1+r2)=−G0LR(r1,r2),(3.21) where the(−)sign comes from the change in boundary conditions,G LR−G0LR=−2G0LR+O(λ1)(3.22) To calculate to higher orders it is convenient to write the interaction as:J2=−34(ψ†αddxψα)(3.23)To second order inλ1,we have the Feynman diagrams shown in Figure(14),giving:ΣR(ω)=−in2(3πλ1)2ω2−12πν[1−e2iδ(ω)]+ΣR inel(ω)δ=π2+...1τ(ω)=n i2(3πλ1)2ω2−1The leadingλ1dependence is O(λ21)in this case.The O(λ1)term inΣR is real.We calculate the conductivity from the Kubo formula.(There is no contribution from the scattering vertex for pure s-wave scattering.)σ(T)=2e2(2π)3 −∂n2n i[1+18(3πλ1)2(ǫ2k+(π2T2)]ρ(T)=1π(ev Fν)2[1−9T K.Numerical or Bethe ansatz methods are needed tofind the precise value ofλ1(D,λ)∝1d lnD =−νλ2+k2ψ0,(4.3)forλ>0(antiferromagnetic case)the minimum energy state has maximum spin for electrons at0i.e.spin=k/2.Coupling this spin-k/2to a spin-s,we don’t get a singlet if s=k/2,but ratheran effective spin of size|s−k/2|.[See Figure(15).]The impurity is underscreened(k/2<s)or overscreened(k/2>s).20FIG.15.Formation of an effective spin at strong Kondo coupling.k=3,s=1and s eff=1/2. Now let tλ2<<1See Figure(16).What is the sign ofλeff?The coupling of the electron spins is antiferromagnetic:λeff S e1,0· S e1,1,withλeff>0(as in the Hubbard model).But we must combine spinsSeff= S+ Sel,0.(4.4)For k2>s, S ef f||+ S el,0.So,ultimately,λeff<0in the underscreenedcase andλeff>0in the overscreened case.In thefirst(underscreened)case,the assumptionλ→∞was consistent since a ferromagneticλeff→0under renormalizaton and this impliesλ→∞,since λeff∼−tFIG.18.The overscreened case with s=1/2,k=2.rge-k LimitTheβ-function is:β=λ2−kdk λc=2λc−3k.(4.7) This implies that the leading irrelevant coupling constant at the non-trivial(infrared)fixed pointhas dimension2/k at large k,so that(λ−λc)scales asΛ2/k.Thus the leading irrelevant operatorhas dimension(1+2/k).This is not an integer!This implies that this critical point is not a Fermiliquid.B.Current Algebra ApproachWe can gain some insight into the nature of the non-trivial critical point using the current algebraapproach discussed in the previous section for the k=1case.It is now convenient to use a formof bosonization which separates spin,charge andflavour(i.e.channel)degrees of freedom.This representation is known as a conformal embedding.We introduce charge(J),spin( J)andflavour(J A)currents.A runs over the k2−1generators of SU(k).The corresponding elements of thealgebra are written T A.These are traceless Hermitean matrices normalized so that:tr T A T B=12 δb cδd a−12ψiβJ A≡ψ†iα(T A)j iψjα.(4.11) (All repeated indices are summed.)It can be seen using Eq.(4.9)that the free fermion Hamiltoniancan be written in terms of these currents as:H=12π(k+2) J2+1C V(G)+k,(4.14) where Dim(G)is the dimension of the group and C V(G)is the quadratic Casimir in the fundamental representation.For SU(k)this has the value:C V(SU(k))=k.(4.15) Thus the total value of the central charge,c,is:c TOT=1+3·kk+2=2k,(4.16)the correct value for2k species of free plicated“gluing conditions”must be imposed tocorrectly reproduce the free fermion spectra,with various boundary conditions.These were workedout in general by Altshuler,Bauer and Itzykson.27The SU(2)k sector consists of k+1conformaltowers,labelled by the spin of the lowest energy(“highest weight”)state:s=0,1/2,1,...k/2.32,33 We may now treat the Kondo interaction much as in the single channel case.It only involves thespin sector which now becomes:H s=12+k,(4.18) where the Hamiltonian reduces to its free form after a shift of the current operators by S whichpreserves the KM algebra.We note that at large k this special value ofλreduces to the one corresponding to the critical point:λc→2/k.While this observation is tantalizing,it leaves many open questions.We might expect that some rearranging of the(k+1)SU(2)k conformal towers takes place at the critical point but preciselywhat is it?Does it correspond to some sort of boundary condition?If so what?How can wecalculate thermodynamic quantities and Green’s functions?To answer these questions we need to understand some more technical aspects of CFT in the presence of boundaries.V.BOUNDARY CONFORMAL FIELD THEORY We will assume that the critical point corresponds to a conformally invariant boundary conditionon the free ing the general theory of conformally invariant boundary conditions developed by Cardy28we can completely solve for the critical properties of the model.Why assume that the critical point corresponds to such a boundary condition?It is convenient to work in the space-(imaginary)time picture.The impurity then sits at the boundary,r=0of the half-plane r>0 on which the Kondo effect is defined.If we consider calculating a two-point Green’s function when both points are taken very far from the boundary(with their separation heldfixed)then we expectto obtain bulk behaviour,unaffected by the boundary.[See Figure(19).]This,at long distances and times is the conformally invariant behaviour of the free fermion system.Very close to the boundary,we certainly do not expect the behaviour to be scale invariant(let alone conformallyinvariant)because various microscopic scales become important.The longest of these scales is presumably the Kondo scale,ξK≈v F/T L≈ae1/νλ.Beyond this distance,it is reasonable to expect scale-invariant behaviour.However,if the two points are far from each other compared to theirdistance from the boundary[Figure(20)]then the behaviour is still influenced by the boundary even when both points are far from it.We have a sort of boundary-dependent termination of the bulk conformally invariant behaviour.The dependence on the details of the boundary(such as the value ofξK)drops out.We may think of various types of boundaries as falling into universality classes,each corresponding to a type of conformally invariant behaviour.Rather remarkably,the above statements hold true whether we are dealing with a2-dimensional classical statistical system with some boundary condition imposed,or dealing with a(1+1)-dimensional quantum system with some dynamical degrees of freedom living on the boundary.In fact,we already saw an example of this in the single-channel Kondo problem.The dynamical impurity drops out of the description of the low-energy physics and is replaced by a simple,scale-invariant boundary condition,ψL=−ψR.FIG.19.The bulk limit.ξFIG.20.The boundary limit.Precisely what is meant by a conformally invariant boundary condition?Without boundaries,conformal transformations are analytic mappings of the complex plane:z ≡τ+ix,(5.1)into itself:z →w (z ).(5.2)(Henceforth,we set the Fermi velocity,v F =1.)We may Taylor expand an arbitrary conformaltransformation around the origin:w (z )=∞ 0a n z n ,(5.3)where the a n ’s are arbitrary complex coefficients.They label the various generators of the conformalgroup.It is the fact that there is an infinite number of generators (i.e.coefficients)which makesconformal invariance so powerful in (1+1)dimensions.Now suppose that we have a boundary atx =0,the real axis.At best,we might hope to have invariance under all transformations whichleave the boundary fixed.This implies the condition:w (τ)∗=w (τ).(5.4)We see that there is still an infinite number of generators,corresponding to the a n ’s of Eq.(5.3)except that now we must impose the conditions:a ∗n =a n .(5.5)We have reduced the (still ∞)number of generators by a factor of 1/2.The fact that there is still an∞number of generators,even in the presence of a boundary,means that this boundary conformalsymmetry remains extremely powerful.To exploit this symmetry,following Cardy,it is very convenient to consider a conformally invariantsystem defined on a cylinder of circumference βin the τ-direction and length l in the x direction,with conformally invariant boundary conditions A and B at the two ends.[See Figure (21).]Fromthe quantum mechanical point of view,this corresponds to a finite temperature,T =1/β.Thepartition function for this system is:Z AB =tr e −βH lAB ,(5.6)where we are careful to label the Hamiltonian by the boundary conditions as well as the length ofthe spatial interval,both of which help to determine the spectrum.Alternatively,we may make amodular transformation,τ↔x .Now the spatial interval,of length,β,is periodic.We write thecorresponding Hamiltonian as H βP .The system propagates for a time interval l between initial andfinal states A and B .Thus we may equally well write:Z AB =<A |e −lH βP |B >.(5.7)Equating these two expressions,Eq.(5.6)and (5.7)gives powerful constraints which allow us todetermine the conformally invariant boundary conditions.βBlA FIG.21.Cylinder of length l ,circumference βwith boundary conditions A andB at the two ends.To proceed,we make a further weak assumption about the boundary conditions of interest.We assume that the momentum density operator,T−¯T vanishes at the boundary.This amounts to a type of unitarity condition.In the free fermion theory this becomes:ψ†αi L ψLαi(t,0)−ψ†αiRψRαi(t,0)=0.(5.8)Note that this is consistent with both boundary conditions that occured in the one-channel Kondoproblem:ψL=±ψR.Since T(t,x)=T(t+x)and¯T(t,x)=¯T(t−x),it follows that¯T(t,x)=T(t,−x).(5.9) i.e.we may regard¯T as the analytic continuation of T to the negative axis.Thus,as in ourprevious discussion,instead of working with left and right movers on the half-line we may work withleft-movers only on the entire line.Basically,the energy momentum density,T is unaware of theboundary condition.Hence,in calculating the spectrum of the system with boundary conditions Aand B introduced above,we may regard the system as being defined periodically on a torus of length2l with left-movers only.The conformal towers of T are unaffected by the boundary conditions,A,B.However,which conformal towers occur does depend on these boundary conditions.We introducethe characters of the Virasoro algebra,for the various conformal towers:χa(e−πβ/l)≡ i e−βE a i(2l),(5.10) where E a i(2l)are the energies in the a th conformal tower for length2l.i.e.:E a i(2l)=π24l,(5.11)where the x a i’s correspond to the(left)scaling dimensions of the operators in the theory and c is theconformal anomaly.The spectrum of H l AB can only consist of some combination of these conformaltowers.i.e.:Z AB= a n a ABχa(e−πβ/l),(5.12)where the n a AB are some non-negative integers giving the multiplicity with which the various con-formal towers occur.Importantly,only these multiplicities depend on the boundary conditions,notthe characters,which are a property of the bulk left-moving system.Thus,a specification of allpossible multiplicities,n a AB amounts to a specification of all possible boundary conditions A.Theproblem of specifying conformally invariant boundary conditions has been reduced to determiningsets of integers,n a AB.For rational conformalfield theories,where the number of conformal towersisfinite,only afinite number of integers needs to be specified.Now let us focus on the boundary states,|A>.These must obey the operator condition:[T(x)−¯T(x)]|A>=0(∀x).(5.13) Fourier transforming with respect to x,this becomes:[L n−¯L n]|A>=0.(5.14) This implies that all boundary states,|A>must be linear combinations of the“Ishibashi states”:29|a>≡ m|a;m>⊗|a;0>.(5.17)(Note that while the states,|a;m>⊗S a0n a AB= b N a bc n b AA.(5.26)Here0labels the conformal tower of the identity operator.Importantly,the new boundary stateand multiplicities so obtained,obey Cardy’s equation.The right-hand side of Eq.(5.23)becomes:S a c<A|a0><a0|B>=<A|a0><a0|A>.(5.29)S a0This gives:b S a b n b AB=S ac S a0<A|a0><a0|A>=<A|a0><a0|B>,(5.30)proving that fusion does indeed give a new solution of Cardy’s equations.The multiplicities,n a BBare given by double fusion:n a BB= b,d N a bc N b dc n d AA.(5.31)[Recall that|B>is obtained from|A>by fusion with the primary operator c.]It can be checkedthat the Cardy equation with A=B is then obeyed.It is expected that,in general,we can generatea complete set of boundary states from an appropriate reference state by fusion with all possibleconformal towers.VI.BOUNDARY CONFORMAL FIELD THEORY RESULTS ON THE MULTI-CHANNEL KONDOEFFECTA.Fusion and the Finite-Size SpectrumWe are now in a position to bring to bear the full power of boundary conformalfield theory on the Kondo problem.By the arguments at the beginning of Sec.V,we expect that the infraredfixed points describing the low-T properties of the Kondo Hamiltonian correspond to conformallyinvariant boundary conditions on free fermions.We might also expect that we could determinethese boundary conditions and corresponding boundary states by fusion with appropriate operatorsbeginning from some convenient,trivial,reference state.We actually already saw a simple example of this in Sec.III in the single channel,s=1/2,Kondo problem.There we observed that the free fermion spectrum,with convenient boundary conditionscould be written:(0,even)⊕(1/2,odd).(6.1) Here0and1/2label the SU(2)1KM conformal towers in the spin sector,while“even”and“odd”label the conformal towers in the charge sector.We argued that,after screening of the impurityspin,the infraredfixed point was described by free fermions with aπ/2phase shift,correspondingto a spectrum:(1/2,even)⊕(0,odd).(6.2) The change in the spectrum corresponds to the interchange of SU(2)1conformal towers:0↔1/2.(6.3) This indeed corresponds to fusion,with the spin-1/2primaryfield of the WZW model.To see thisnote that the fusion rules for SU(2)1are simply[from Eq.(5.25)]:。
Exciton annihilation and diffusion in semiconducting polymersP. E. Shaw, A. J. Lewis, A. Ruseckas, I. D. W. SamuelOrganic Semiconductor Centre, SUPA, School of Physics and Astronomy, University of St Andrews, North Haugh, St Andrews, Fife KY16 9SS, United KingdomABSTRACTWe show that time-resolved luminescence measurements at high excitation densities can be used to study exciton annihilation and diffusion, and report the results of such measurements on films of P3HT and MEH-PPV. The results fit to an exciton-exciton annihilation model with a time independent annihilation rate γ, which was measured to be γ = (2.8±0.5)x10-8 cm3s-1 in MEH-PPV and γ = (5.2±1)x10-10 cm3s-1 in P3HT. This implies much faster diffusion in MEH-PPV. Assuming a value of 1 nm for the annihilation radius we evaluated the diffusion length for pristine P3HT in one direction to be 3.2 nm. Annealing of P3HT was found to increase the annihilation rate to (1.1±0.2)x10-9 cm3s-1 and the diffusion length to 4.7 nm.Keywords: Annihilation, Diffusion, Time-resolved, Fluorescence, Annealing, P3HT, MEH-PPV1.INTRODUCTIONThe properties of conjugated polymers make them promising materials for use in organic photovoltaic cells 1. Their high absorption coefficient, capability of charge transport, and solution-processing make them versatile materials that can be incorporated into a range of possible device structures. Photoexcitation of the polymer results primarily in singlet exciton formation2 with a relatively high binding energy in the range of 0.3 to 1 eV 3, 4. This factor means that dissociation of the excitons does not readily occur and that a charge-accepting material is required to provide an interface at which separation can occur.In organic solar cells this can be achieved by either depositing the polymer film directly onto a flat layer of charge accepting material,5 or by blending the two together to form a bulk heterojunction 6. This last approach has proved most effective with reported efficiencies of ~5% 7. In either case the performance will depend critically on the ability of the exciton to diffuse to an interface.From the time of generation the exciton diffuses by a random walk process through the polymer matrix. The rate of diffusion is known as the diffusion coefficient and will vary from polymer to polymer. The distance traveled by an exciton during its lifetime is the diffusion length. Longer diffusion lengths are desirable for solar cell materials.An important technique for measuring exciton diffusion is via the diffusion to a quencher method 8-11. Varying thicknesses of the polymer of interest are deposited onto a quenching surface such as a fullerene or TiO2 12. The properties of the quenching surface are essential for the effectiveness of this method. The quencher must be smooth, stable and capable of readily accepting charges in the vicinity. In addition the thickness of the polymer must be determined accurately – for example by spectroscopic ellipsometry.Of all the excitons generated within the polymer by photoexcitation a fraction of these will be close to the interface and likely to be quenched. By varying the thickness of the polymer film the extent of the quenching will also change, the effect of which can be detected by both steady-state and time-resolved measurements of the photoluminescence (PL). In both cases a reference film of the same thickness, deposited onto a non-quenching substrate, is also required for comparison. A value for the diffusion coefficient is typically calculated by fitting to the data with a diffusion model.An alternative technique is via exciton-exciton annihilation. At high exciton densities two excitons may fuse to form a higher energy exciton, which rapidly decays to the original excited state by phonon emission. This process requires the two excitons to be in close proximity to each other; so its rate depends on the density of excitons and how rapidly theyOrganic Photovoltaics VII, edited by Zakya H. Kafafi, Paul A. Lane,Proc. of SPIE Vol. 6334, 63340G, (2006) · 0277-786X/06/$15 · doi: 10.1117/12.681573diffuse. By measuring the rate of decay of photoluminescence as a function of excitation density, exciton annihilation and diffusion can be studied. An advantage of this method is that it does not require a quencher and is therefore less complex. In this paper we apply this technique to study exciton dynamics in the conjugated polymers P3HT and MEH-PPV, which are promising materials for light-emitting devices 13, 14, organic photovoltaics 15, 16 and field effect transistors 17, 18.2.EXPERIMENTAL METHODThe P3HT was supplied by Merck and has a regio-regularity of 98.5%. Solutions were prepared in chloroform and initially heated to 50° C for two hours while stirring to assist the dissolution of the polymer. All films were spin-coated onto fused silica substrates, which had been cleaned in an ultrasonic bath with acetone and propan-2-ol. Annealing was performed in the inert atmosphere of a glove box at 140° C for 2 hours.Time-resolved measurements were performed with the sample stored in a vacuum of ~5x10-5 mbar and excited from the polymer side. For the P3HT measurements excitation was in the form of 100 fs duration pulses of 505 nm wavelength at a frequency of 5 kHz. The low repetition rate ensures there is full relaxation of the excited states in the polymer between successive excitations. Time-resolved PL measurements were captured over the wavelength range of 610-730 nm with a Hamamatsu streak camera coupled with a Chromex imaging spectrograph. The diameter of the excitation spot was measured to be 280 µm with a beam profiler. The absorbance spectra were measured with a Varian Cary 300 spectrophotometer. Film thickness was calculated from the absorbance to be 48 nm.The data for the MEH-PPV was obtained by exciting the film with 100 fs pulses of 400 nm wavelength at a repetition rate of 50 kHz. The diameter of the excitation spot was measured to be 0.5 mm with the emission over the wavelength range 550-680 nm captured by the streak camera. Film thickness was calculated from the absorbance to be 35 nm.3.RESULTSThe structures of the materials studied, together with their absorption spectra are shown in figure 1. The time-resolved PL decays for MEH-PPV for a range of exciton densities are displayed in Fig. 2. The initial excitation density isresults in a single photoexcitation. At the lowest density (5x1016 cm -3) the decay is mono-exponential with a 1/e lifetime of 140 ps, but as the exciton density increases the decay becomes more rapid due to exciton-exciton annihilation. This can be modeled by the following rate equation:2)(n n dtt dn γκ−−= (1)where n(t) is the time dependent exciton density, κ is the exciton decay rate in the absence of annihilation and γ is the annihilation rate. Assuming the annihilation rate is time-independent, the solution to equation (1) is:)]exp(1)[0(1)exp()0()(t n t n t n κκγκ−−+−=(2)eeeP L I n t e n s i t y (n o r m a l i s e d )-3κκκγ−⎟⎟⎠⎞⎜⎜⎝⎛+=)exp()0(1)(1t n t n (3)From equation (3) the 1/n(t) dependence on exp(κt) is expected to be linear, which turns out to be true for MEH-PPV (Fig. 3), confirming that the annihilation rate γ is indeed time-independent. The gradient and intercept of the data give a value for γ = (2.8±0.5)x10-8 cm 3 s -1.1.21.62.02.42.80.05.0x10-181.0x10-171.5x10-172.0x10-171/n (t )Exp (κt)Fig. 3. Linearised annihilation data for a 38 nm MEH-PPV film. Excitation densities are given in cm -3.Time-resolved measurements of the PL decay of P3HT reveal an initial rapid decay component that prevents the full decay from being considered as mono-exponential (Fig. 4). However, the remainder of the decay is close to mono-exponential and so can be fitted to with the model if the initial ~50 ps are omitted. A value for the initial excitation n(0) is required to calculate the annihilation rate γ from the gradient and this was obtained by extrapolating the decay back to t = 0 as illustrated in Fig. 4. This approach yields a value for n(0) consistent with a time independent decay rate, which is what is assumed in the model.1.0x10181.0x1019n (t )Time (ps)Fig. 4. Exciton density as a function of time and initial excitation density for a P3HT film excited with 505 nm pulsesThe linearised results for the pristine film are presented in Fig. 5 with the extrapolated initial excitation densities in the inset. Linear fits agree well with the data and yield consistent values for the annihilation rate, the average of which was (5.2±1)x10-10 cm 3s -1.1/n (t )exp(κt)Fig. 5. Linearised annihilation data for pristine P3HT. The extrapolated n(0) are given in the inset.exp(κt)Fig. 6. Linearised annihilation data for annealed P3HT. The extrapolated n(0) are given in the inset.4. DISCUSSIONThe results reveal that the annihilation rate is faster in MEH-PPV than it is in P3HT by more than an order of magnitude, implying that the exciton diffusion rate must also be faster in MEH-PPV than it is in P3HT.The annihilation rate is related to the diffusion coefficient, D , by equation (4) where R a is the annihilation radius.D R a πγ4= (4)The annihilation radius is a critical variable in the determination of D , however it is one that is not easily measured experimentally. It corresponds to the separation at which the process of annihilation between two excitons is faster than diffusion and therefore likely to occur.The distance that an exciton can diffuse will be limited by its lifetime τ and is the diffusion length L D . For diffusion towards a quenching interface (in one direction):τD L D =(5)For the purpose of all the calculations presented for P3HT the value of R a was set to 1 nm. This is consistent with what others have assumed in the literature 21, 22 for this polymer. For the pristine film this gives D = (4.1±0.8)x10-4 cm 2s -1 and the diffusion length is estimated to be 3.2 nm using this value and the lifetime at low excitation intensities of 250 ps.For the annealed film the diffusion coefficient and diffusion length were calculated to be (8.8±2)x10-4 cm 2s -1 and 4.7 nm respectively, again assuming a value of 1 nm for R a . The doubling of the annihilation rate (and diffusion coefficient) shows that adjustments to processing can be used to enhance exciton diffusion. The benefits of thermally annealing P3HT/PCBM blends have been extensively reported 23, 24 and generally attributed to better mixing of the PCBM and the polymer matrix. The results presented here indicate that a proportion of this enhancement may be due to a reordering of the P3HT.For MEH-PPV the annihilation rate was calculated to be (2.8±0.5)x10-8 cm 3s -1, which gives a diffusion coefficient D = 2.2x10-2 cm 2s -1 for a value of R a of 1 nm. With a lifetime of 140 ps the diffusion length L D is therefore 18 nm. This value is at the high end of what has been reported 25, but the result is strongly influenced by the value assigned to the annihilation radius. It is possible that the annihilation radius of MEH-PPV is much bigger than it is for P3HT and increasing R a to 4 nm yields a diffusion coefficient of (5.6±1.0)x10-3 cm 2s -1 and a value for L D of 8.8 nm. Values reported so far in the literature for MEH-PPV, obtained via diffusion to an interface experiments, suggest a diffusion length in the range of 6-14 nm 11, 25, 26, which would be consistent with a larger value for R a .An estimate for the diffusion length can be obtained from the exciton density at which the onset of annihilation is detected. Assuming a uniform exciton distribution n(0) and that diffusion is isotropic then each exciton can be approximated as a sphere of radius L 3D , where L 3D is the sum of the 3-dimensional diffusion length and the annihilation radius. This calculation provides an upper limit for the diffusion length.1)0(3433=D L n π (6)In MEH-PPV the onset occurred at approximately n(0) = 1017 cm -3, which gives a value of L 3D ~ 13 nm. For P3HT the corresponding value of n(0) is higher at approximately 1018 cm -3, resulting in L 3D ~ 6 nm, which fits with the view that both the diffusion length and the annihilation radius are small and agrees well with the values calculated from the annihilation rate. The calculated diffusion length of 3.2 nm is consistent with that reported by Kroeze et al 22 of 2.6-5.3 nm and that of ~ 5 nm by Theander et al 10 for a similar polythiophene.The calculation of the diffusion coefficient from the annihilation rate is influenced by the value chosen for the annihilation radius and there is no reason why this should be the same for both MEH-PPV as P3HT. The low onset of annihilation may not be due solely to an increase in the diffusion coefficient, but could also be a consequence of a large annihilation radius too.5.CONCLUSIONSWe have shown that exciton annihilation is a useful technique for the study of solar cell materials. Exciton annihilation and diffusion is faster in MEH-PPV than in P3HT. In P3HT the rate of annihilation and diffusion can be doubled by thermal annealing, indicating that refinements to processing can enhance exciton diffusion.ACKNOWLEDGEMENTSThe authors would like to thank EPSRC for financial support.REFERENCES1Nelson, J., Current Opinion in Solid State and Materials Science2002, 6, 87.2Greenham, N. C.; Samuel, I. D. W.; Hayes, G. R.; Phillips, R. T.; Kessener, Y.; Moratti, S. C.; Holmes, A. B.;Friend, R. H., Chemical Physics Letters1995, 241, 89.3Frankevich, E. L.; Lymarev, A. A.; Sokolik, I.; Karasz, F. E.; Blumstengel, S.; Baughman, R. H.; Horhold, H.H., Physical Review B1992, 46, (15), 9320.4Scheidler, M.; Lemmer, U.; Kersting, R.; Karg, S.; Riess, W.; Cleve, B.; Mahrt, R.; Kurz, H.; Bassler, H.;Gobel, E.; Thomas, P., Physical Review B1996, 54, (8), 5536.5Oregan, B. and Gratzel, M., Nature1991, 353, (6346), 737.6Halls, J. J. M.; Walsh, C. A.; Greenham, N. C.; Marseglia, E. A.; Friend, R. H.; Moratti, S. C.; Holmes, A. B., Nature1995, 376, (6540), 498.7Li, G.; Shrotriya, V.; Huang, J. S.; Yao, Y.; Moriarty, T.; Emery, K.; Yang, Y., Nature Materials2005, 4, (11), 864.8Scully, S. R. and McGehee, M. D., Journal of Applied Physics2006, 100, 034907.9Gregg, B.; Sprague, J.; Peterson, M., Journal of Physical Chemistry B1997, 101, (27), 5362.10Theander, M.; Yartsev, A.; Zigmantas, D.; Sundstrom, V.; Mammo, W.; Andersson, M. R.; Inganas, O., Physical Review B2000, 61, (19), 12957.11Markov, D. E.; Hummelen, J. C.; Blom, P. W. M.; Sieval, A. B., Physical Review B2005, 72, 045216.12van Hal, P. A.; Christiaans, M. P. T.; Wienk, M. M.; Kroon, J. M.; Janssen, R. A. J., Journal of Physical Chemistry B1999, 103, (21), 4352.13Nguyen, T.; Kwong, R.; Thompson, M.; Schwartz, B., Applied Physics Letters2000, 76, (17), 2454.14Kim, Y. and Bradley, D. D. C., Current Applied Physics2005, 5, (3), 222.15Kim, Y.; Cook, S.; Tuladhar, S. M.; Choulis, S. A.; Nelson, J.; Durrant, J. R.; Bradley, D. D. C.; Giles, M.;McCulloch, I.; Ha, C.; Ree, M., Nature Materials2006, 5, 197.16Kawata, K.; Burlakov, V. M.; Carey, M. J.; Assender, H. E.; Briggs, G. A. D.; Ruseckas, A.; Samuel, I. D. W., Solar Energy Materials and Solar Cells2005, 87, 715.17Sirringhaus, H.; Tessler, N.; Friend, R., Science1998, 280, (5370), 1741.18Sirringhaus, H.; Brown, P. J.; Friend, R. H.; Nielsen, M. M.; Bechgaard, K.; Langeveld-Voss, B. M. W.;Spiering, A. J. H.; Janssen, R. A. J.; Meijer, E. W.; Herwig, P.; de Leeuw, D. M., Nature1999, 401, (6754),685.19Liu, Y.; Summers, M. A.; Edder, C.; Fréchet, J. M. J.; McGehee, M. D., Advanced Materials2005, 17, (24), 2960.20Kim, Y.; Choulis, S. A.; Nelson, J.; Bradley, D. D. C.; Cook, S.; Durrant, J. R., Applied Physics Letters2005, 86, 063502.21Dicker, G.; de Haas, M. P.; Siebbeles, L. D. A.; Warman, J. M., Physical Review B2004, 70, 045203.22Kroeze, J. E.; Savenije, T. J.; Vermeulen, M. J. W.; Warman, J. M., Journal of Physical Chemistry B2003, 107, (31), 7696.23Kim, Y.; Choulis, S. A.; Nelson, J.; Bradley, D. D. C.; Cook, S.; Durrant, J. R., Journal of Materials Science 2005, 40, (6), 1371.24Li, G.; Shrotriya, V.; Yao, Y.; Yang, Y., Journal of Applied Physics2005, 98, 043704.25Burlakov, V. M.; Kawata, K.; Assender, H. E.; Briggs, G. A. D.; Ruseckas, A.; Samuel, I. D. W., Physical Review B2005, 72, 075206.26Halls, J. J. M.; Pichler, K.; Friend, R. H.; Moratti, S. C.; Holmes, A. B., Applied Physics Letters1996, 68, (22), 3120.。
a r X i v :c o n d -m a t /9606172v 1 24 J u n 1996Interplay of charge and spin correlations in nickel perovskites J.Loos a and H.Fehske baInstitute of Physics,Czech Academy of Sciences,16200Prague,Czech Republic b Physikalisches Institut,Universit¨a t Bayreuth,D-95440Bayreuth,Germany Analyzing the motion of low–spin (s =1/2)holes in a high–spin (S =1)background,we derive a sort of generalized t–J Hamiltonian for the NiO 2planes of Sr–doped nickelates.In addition to the rather complex carrier–spin and spin–spin couplings we take into account the coupling of the doped holes to in–plane oxygen breathing modes by a Holstein–type interaction term.Because of strong magnetic confinement effects the holes are nearly entirely prelocalized and the electron–phonon coupling becomes much more effective in forming polarons than in the isostructural cuprates.In the light of recent experiments on La 2−x Sr x NiO 4we discuss how the variety of the observed transport and charge/spin–ordering phenomena can be qualitatively understood in terms of our model Hamiltonian.In contrast to the superconducting cuprates, 2−x Sr x CuO 4,the layered transition metal oxide La 2−x Sr x NiO 4becomes metallic only near x =1.In either case,however,the measurements of the elec-trical transport and the magnetic susceptibility,as well as the investigations of the lattice and magnetic structures revealed a rich variety of phenomena indi-cating the close interconnection between the charge–and spin–ordering and the transport properties [1,2].The studies on doped La 2−x Sr x NiO 4indicate that the additional holes in the NiO 2planes have their own magnetic moment,i.e.,they carry a spin s =1/2and couple to the Ni 2+(d 8)ions with spin S =1(the high–spin state,HSS)in a way that a low–spin state (LSS)with total spin J =1/2is formed [3].Excluding the hole doubly–occupied sites,we shalldefine our model in the tensor product space of lo-cal hole states {|i,σ ,|i,0 }and local S =1states{|i,S,m }.Here,|i,σ means an eigenfunction of spin operators s 2i ,s z i of a hole at the site i ,|i,0corresponds to no extra hole at i ,and |i,S,m de-notes the eigenfunction of S 2i ,S z i of the HSS with spin projection m =1,0,−1at the site i .In the case of nonmaximal total spin J ,we shallconstruct our Hamiltonian in the subspace of the ten-sor product space defined by the local basis vectors{|i,S,m |i,0 }and {|i,J =1/2,M =±1/2 },i.e.,|i,1√2−M ]1/2|i,S,M −12+M ]1/2|i,S,M +112212and h i ↓=e i ˜s +i +e iϕ˜s −i ˜s +i /√spin operators s+i=h†i↑h i↓=e†i e i˜s+i,and the site–occupation operator of LSS is given by n i=e†i e i. Then the total spin operator may be cast into the formJi=(1−n i) S i+n i( S i+ ˜s i).(4) The spin correlations are determined by antiferro-magnetic(AF)exchange interactionsH ex= i,j J(n i,n j) J i J j,(5)where the operators J i are given by(4)and the argu-ments n i,n j of J indicate the dependence of the ex-change on the electronic configuration of the nearest neighbour(NN)sites i,j .We have to keep in mind that s i, S i couple one another to form a J=1/2 state,what can be enforced by adding an effective on–site interaction J i n i ˜s i S i which is much stronger than all the inter–site interactions.The influence of the magnetic correlations on the charge transport will be demonstrated for low dop-ing x≪1in which case the holes are moving in the AF background of Ni2+ing the linear spin wave approximation(LSWA)and the representation of h iσ,h jσin terms of decoupled spin–and charge variables,H t given by(2),(3)assumes the form of a spin–dependent transport Hamiltonian for holons. The effective charge–transfer constant is obtained by taking the average of H t over the spin degrees of free-dom.The average over the spin S=1background in LSWA leads toH t=−√3t i,j e i e†j( δS z i +14,(7)g ji=e iϕ2−˜s z i˜s−j+˜s−i 12 12−˜s z j,(8)and δS z i is equal to the reduction of the local|S z i|from the classical value S in the AF magnon groundstate.Both the expectation values in(6)(being zeroin the classical AF N´e el ground state)are given bythe zero–point spinfluctuations and cause a reduc-tion of the bare hopping constant t.A similar effectis induced also by the remaining spin factor,as themean value f ji+g ji = 2 ˜s i ˜s j+1。
a r X i v :c o n d -ma t/9710226v 1 [c o n d -m a t .m e s -h a l l ] 22 O c t 1997Spin-Charge Separation in Quantum Hall LiquidsH.C.LeeAsia Pacific Center for Theoretical Physics,Seoul,KoreaS.-R.Eric YangDepartment of Physics,Korea University,Seoul 136-701,KoreaWe have investigated chiral edges of a quantum Hall(QH)liquid at filling factor ν=2.We find that spin and charge separate in the presence of the long-range Coulomb interaction,and the tunneling density of states(DOS)is given by D (ω)∼[−1/ln ω]1/2.The measurement of the temperature and voltage dependences of the tunneling current should reveal the presence spin-charge separation.PACS numbers:73.20.Dx,73.20.MfSpin charge separation,the transmutation of statis-tics,and Luttinger liquid behavior are the fundamental properties of interacting 1D electrons [1–3].Edge elec-trons of a QH liquid form an interacting 1D chiral liquid [4–9].For short-range interactions the electrons form a Luttinger liquid at fractional filling factors and a Fermi liquid at integer filling factors.The experimental evi-dence of the power law behavior of Luttinger liquid came from tunneling between two ν=1/3edges [10]and be-tween a bulk doped-GaAs normal metal and the abrupt edge of a QH fluid [11].The separation of spin and charge is an enormous sim-plification,and it also has important consequences for the low-energy physics.The wave functions and space-time correlation functions factorize into products and the spin and charge collective modes also have different velocities.However,spin charge separation has received little atten-tion in connection with QH edge electrons.The edges can have a composite structure in the fractional case [4,12]and spin charge separation is not expected.We propose in this paper that the tunneling DOS should reveal spin charge separation at the integer case ν=2,provided that the long range of the Coulomb interaction is present.The tunneling DOS is of the form D (ω)∼[−1/ln ω]1/2and differs from D (ω)∼[−1/ln ω]of the spin-polarized case ν=1[13].The appearance of the power 1/2is a conse-quence of spin charge separation and depends crucially on the long range of the Coulomb interaction [14].We have calculated the temperature and voltage dependences of the tunneling current between a bulk doped-GaAs and the abrupt edge of a QH fluid.In our model electrons reside on a rectangle of width W and length L .The single particle states may be de-noted by a wavevector k in the Landau gauge.A periodic boundary condition is used so that k =2πe 2ρs,p ρs,−p +s,p>0V a (p )ρs,p ρs,−p+s,p>0V b (p )ρs,p ρ−s,−p ,(1)where the density operators satisfy the commutation re-lation [ρs,p ,ρs,−p ′]=pe2ǫln2ǫln2√√e 2p>0v c,p :ρp ρ−p :+2πe 2p>0gσp ρ−p .(2)The renormalized charge and spin velocities are v c,p =v +2e 2|p |c and v s,p =v +e 2a ,where c 2=ab and v =(v F,↑+v F,↓)/2.The coupling between spin and charge modes is given by g =v F,↑−v F,↓.This Hamilto-nian can be diagonalized by the canonical transformation ρp =cos θp ˜ρp −sin θp ˜σp and σp =sin θp ˜ρp +cos θp ˜σp ,where tan 2θp =2g/π(v c,p −v s,p ).The diagonalized Hamiltonian isH =2πe 2 p>0v ′s,p:˜σp ˜σ−p :,(3)where v′c,p and v′s,p are the renormalized velocities.The bosonization formula for spin s is given byψs(x)=e ik F,s x2παexp(−2πpρp,s).(4)Wefind that the electron Green’s function of spin s is given byG s(x,t)∼e ik F,s x2 ∞0dp2 ∞0dpω|exp sgω ,(6)whereω0is of order e2/ǫW,v0=2e2/(ǫπ),andωis measured from the Fermi energy.This result should be contrasted to the result D(ω)∼[−1/lnω]atν=1.The square root in the denominator reflects spin-charge sep-aration.The groundstates atν=1,2are both exactly given by HF theory,and it is illustrative to consider the DOS from the perspsective of HF theory.It is sufficient to consider the limit where the confinement potential is very steep so that the groundstate is given by a single Slater de-terminant with N↑and N↓spin-up and down electrons |N↑,N↓,0>[18,19].This state has,unlike a normal Fermi liquid,zero mass renormalization in spite of the strong electron-electron interactions.According to the Lehmann representation of the Green’s functionG s(k,ω)= n(|<N↑+1,N↓,n|c+k,↑|N↑,N↓,0>|2ω−(E0(N↑,N↓)−E n(N↑−1,N↓))).(7) Here|N↑,N↓,n>and E n(N↑,N↓)are the n’th lowest energy state and its energy.Whenν=1(N↓=0)it is possible to compute sev-eral values of the self energy exactly within this HF theory.Consider thefirst term in the Lehmann rep-resentation.Since the groundstate|N↑+1,0,0>=c+k F+∆k,↑|N↑,0,0>(Fig.1(a))and thefirst excited state |N↑+1,0,1>=c+k F+2∆k,↑|N↑,0,0>(Fig.1(b))are sin-gle Slater determinant states the self energiesΣkF,↑+∆kandΣkF,↑+2∆kare exactly given by the HF theory.Nowconsider the second term in the Lehmann representa-tion.The self energyΣkF,↑is also known exactly since|N↑−1,0,0>=c k F,↑|N↑,0,0>(Fig.1(c))is a singleSlater determinant state.¿From these values of the selfenergies the qualitative behavior of the DOS may be ex-tracted.It is also possible to calculate the asymptoticvalues of the self energy directly.In the limit k→k F thefirst derivative of the exchange self energy has a singu-larity at k=k F.¿From the expression of the exchangeself energyΣX k,s=−e22)2K0((k−k′Since the spin and charge modes have the same energy at k=0but different energies at k=∆k they must have different velocities.We will now investigate the DOS when thefilling fac-tor isν=4/3.Thefilling factor of spin-up and-down electrons areν=1andν=1/3.Including the coupling between the edges within Wen’s effective Hamiltonian we findD↑(ω)∼1/ln|1/ω|,(13) andD↓(ω)∼|ω|1|ln1/ω|1/ν.(14) These results for DOS are identical to those of isolated edges in the absence of edge coupling,and spin-charge is thus absent atν=4/3.It should be stressed that the logarithmic corrections to the DOS are due to the long range of the Coulomb interaction.Experimentally relevant quantities are the voltage and temperature dependences of the tunneling current.We calculate these quantities for the structure used in a re-cent experiment[11],where a AlGaAs tunnel barrier is inserted between a2D electron gas and a3D doped GaAs. For eV and T less thanω0it is possible to obtain simple analytical results,and the results are given below.For ν=2and T=0wefind,for both spin channels,that the voltage dependence is given byI∝eVeV 1/2.(15)The temperature dependence is given by the following ap-proximate interpolating expression between the low and high temperature limitsI∝eV1max(T,eV/2) 1/2.(16)The dominant tunneling current arises from tunneling into spin up states which are closest to the3D reservoir. The edge separation between spin up and down electrons is typically of the order of the magnetic length.We have also calculated the voltage and temperature dependences atν=1:I↑∝eVeV,(17) andI↑∝eV1max(T,eV/2).(18)For comparison,the voltage dependence is calculated for ν=1/3down spin edge.I↓∝ν(eV)1/νeV 1/ν,(19)The temperature dependence is given by the following ap-proximate interpolating expression between the low and high temperature limitsI↓∝T1/ν eV ln1k B T 1/ν1eV 1/ν .(20) These results forν=1/3are not identical to the previous results for short range interactions:the Coulomb interac-tion gives arise to the logarithmic corrections.To observe the logarithmic corrections the experimental data should befitted to this expression over a wider range of T and V.A QH chiral liquid atν=2is a rather unique1D liquid.Although it is not a Luttinger liquid spin charge separation is present provided the electron-electron inter-actions are given by the long range Coulomb interaction. Our work shows that this effect can be observed in the tunneling current between a bulk doped-GaAs and the abrupt edge of a QHfluid[11].This work has been supported by the Non Directed Researh Fund(Korea Research Foundation),the KOSEF under grant961-0207-040-2,and the Ministry of Educa-tion under grant BSRI-96-2444.[15]J.Dempsey,B.Y.Gelfand,and B.I.Halperin,Phys.Rev.Lett.70,3639(1993).[16]C.de C.Chamon and X.G.Wen,Phys.Rev.B49,8227(1994).[17]U.Zulicke and A.H.MacDonald,Phys.Rev.B,to be pub-lished.[18]S.R.Eric Yang,A.H.MacDonald,and M.D.Johnson,Phys.Rev.Lett.71,3194(1993).[19]A.H.MacDonald,S.R.Eric Yang,M.D.Johnson,Aust.J.Phys.46,345(1993).FIG.1.Occupation numbers of the groundstate|N↑+1,0,0>=c+k F,↑+∆k|N↑,0,0>,and thefirst excited state|N↑+1,0,1>=c+k F,↑+2∆k|N↑,0,0>are shown in(a)and(b).The occupation number of the groundstate of N↑−1electrons,|N↑−1,0,0>=c kF,↑|N↑,0,0>,is shown in(c).Atν=2thefirst excited state|N↑+1,N↓,1>is a linear combination oftwo Slater determinant states c+k F,↓+∆k c kF,↓c+k F,↑|N↑,N↓,0>and c+k F,↑+2∆k|N↑,N↓,0>.The occupation numbers of these twostates are shown in(d),and(e).4。
a r X i v :c o n d -m a t /0007336v 1 [c o n d -m a t .s t r -e l ] 21 J u l 2000Spinless fermions ladders at half fillingP.Donohue,1,†M.Tsuchiizu,2,‡T.Giamarchi,1,§and Y.Suzumura 2,3,∗∗1Laboratoire de Physique des Solides,CNRS-UMR 85002,Universit´e Paris–Sud,Bˆa t.510,91405Orsay,France2Department of Physics,Nagoya University,Nagoya 464-8602,Japan 3CREST,Japan Science and Technology Corporation (JST),Japan(Dated:February 1,2008)We study a half filled ladder of spinless fermions.We show that contrarily to a single chain,the ladder becomes a Mott insulator for arbitrarily small repulsive interactions.We obtain the full phase diagram and physical quantities such as the charge gap.We show that there is only a single insulating phase for repulsive interactions,regardless of the strength of the interchain hopping and single chain Mott gap.There is thus no confinement-deconfinement transition in this system but a simple crossover.We show that upon doping the system becomes a Luttinger liquid with a universal parameter K =1/2different from the one of the single chain (K =1/4).I.INTRODUCTIONOne dimensional systems are one of the few known ex-ample of non-fermi liquid behavior 1,2,3.It is thus of ut-most theoretical importance to understand how one can go from a one dimensional situation to a more conven-tional high (typically three)dimensional one by coupling one dimensional systems,allowing particles to jump from chain to chain.This question is far from being elucidated despite several theoretical attempts 4,5,6,7,8,9.For com-mensurate one dimensional system another phenomenon appears:such systems are Mott insulators.This leads to a direct competition between interactions and hopping.The insulating behavior of the one dimensional system tends to kill the interchain hopping and thus to confine the electrons on individual chains.Conversely,a large interchain hopping destroys the one-dimensional charac-ter and thus weakens the Mott transition considerably,turning the system into a metal.This competition be-tween the Mott transition and interchain hopping has in addition to its theoretical importance,implications for organic compounds 10,11,12,13that are three dimensional stacks of quarter filled chains 14.Unfortunately studying an infinite number of coupled chains is extremely difficult,so to understand such phe-nomenon it is interesting to investigate simpler systems with a finite number of coupled chains.Such systems are the so-called ladders 15.They present the advantage to allow a careful study of the effects of hopping by being tractable by powerful analytical 16,17,18,19,20,21,22,23and numerical techniques 24,25,26,27,28.For commensurate lad-ders with spin,the relevance of interchain hopping was studied by renormalization group techniques 29,30,31.De-pending on the ratio between the single chain Mott gap and the interchain hopping (suitably renormalized by the interactions)a very different flow of the single particle hopping was observed,reminiscent of the confinement-deconfinement transition expected for the infinite numberof chains,even if in the ladder there is no real transition but a simple crossover 32.In addition,interchain hopping was shown to drastically modify the critical properties of the Mott transition 33,34,35compared to the one of a single chain.Despite these studies on commensurate ladders a detailed description of the phase diagram and of the na-ture of the Mott transition is still lacking.In the present paper we investigate these issues on a ladder of spinless fermions.Spinless fermions exhibit ex-tremely interesting behavior since a single chain needs a finite repulsive interaction before turning into a Mott insulator,contrarily to the spinful chain for which any repulsive interaction freezes the charge leaving only the spin degrees of freedom.One could thus naively think to be able to go from an insulating phase,dominated by the single chain gap,to a metallic phase even for repulsive interactions.In fact,quite interestingly,for the spinless ladder the Mott transition is pushed in the vicinity of the non-interacting point,invalidating this naive picture.Quite fortunately the fact that the Mott transition is now in the vicinity of the non interacting point allows to study it using standard renormalization group technique,and extract the complete properties of the transition.The plan of the paper is as follows.In section II we introduce the model for the two leg spinless ladder.In section III we study this model using the renormaliza-tion group technique.We show that the Mott transition occurs now for arbitrary repulsive interactions and com-pute the various physical parameters (charge gap,Lut-tinger liquid parameters)both analytically and by a nu-merical integration of the RG equations.We analyse the phase diagram in section IV.We show that in the lad-der the confinement-deconfinement is in fact a crossover.We also investigate the properties of the slightly doped ladder and point out the differences that exist compared to a doped single chain.Conclusions can be found in section V.Finally some technical details can be found in the appendix.2II.MODELWe start from spinless electrons on a two leg ladder,described by the HamiltonianH =−ti,α(c †i,αc i +1,α+h.c.)+V i,αn i,αn i +1,α−t ⊥i(c †i,1c i,2+h.c.)(1)where α=1,2is the chain index.t and t ⊥are respec-tively the intra and interchain hopping,and V the repul-sion between nearest neighbors particles.To analyze the long distance properties of this model it is convenientto use the boson representationof fermions operators 1,2,3,valid in one dimension.Two basis are pos-sible:(i)one can start in the original chain basis and bosonize each chain;(ii)one can use the bonding and antibonding basis.Each basis has advantages and draw-backs and we will need both to tackle the Mott transition in the ladder,so we give both boson representations be-low.AChain basisWe refer the reader to the literature for the boson map-ping and recall here only the main steps to fix the nota-tions.Taking a linearized energy dispersion at the Fermi level,we use the following expressions for right and left moving fermions 1.ΨR,L =ηR,L 2πae −i (±φ−θ)e ±ik F x(2)φand Πare canonically conjugate operators and Π=12πdx(πΠ)2+(∂x φ)2H int =gdx (∂x φ)2H u =−2g udxπ2(5)The umklapp part,H u ,only appears in this form at half-filling 10(i.e.when 4k F a =2π)and is responsible for theMott transition of a single chain.The interaction g can be absorbed in the quadratic part to give the Luttinger HamiltonianH =1K (∂x φ)2(6)The parameters of the Hamiltonian are the renormalized fermi velocity u ,the Luttinger K parameter and the non-universal umklapp coupling constant.For small V these parameters can be perturbatively computed:uK =v F u π(1−cos(2k F a ))(7)g u =aVHowever the description (3)is much more general and is valid even at large coupling provided the proper renor-malized coupling constant are used.In fact in the fol-lowing we will not assume such relations for the coupling constants and take g u as a free parameter (the param-eters may be tuned at will with for example a second nearest-neighbor interaction).Using the bosonized expression (3)for the single chain,we can write the two uncoupled chains in (1)asH int =gdx ((∂x φs )2+(∂x φa )2)(8)H u =−4g u dx8φa )cos(√√√πacos√2θa (11)This basis has the advantage to treat very simply the umklapp term,but has the drawback not to reproduce easily the band picture of free fermions.BTwo band basisAnother basis is the bonding-antibonding band basis.We first diagonalize the kinetic energy in (1)withc i,0=12(c i,1+c i,2)(12)c i,π=12(c i,1−c i,2)(13)3and the corresponding boson fields.In this basis the interchain hopping is diagonal:−t ⊥ i(c †i,0c i,0−c †i,πc i,π)(14)however the interaction term is less simple to formulate.Rather than to use the bonding and antibonding boson fields it is again convenient to introduce the symmetric and antisymmetric combination that we denote now φρ=(φ0+φπ)/√2to distinguish them from the ones in the chain basis.This leads to the simple bosonized expression:−t ⊥√π dx∂x φσ(15)The change of basis for the interaction term can be most easily performed using the transformation formulas for the total charge current .−1/π∂x φs =−1/π∂x φρ(16)−1/π∂x φa =√πacos√2θσSince the interaction terms are quadratic in currents we also need an operator product expansion to extract the most relevant operators.cos nφ2=12(∂x φ)2+cos 2nφ)(17)The expression for the anti-symmetric current is how-ever misleading since it does not include Klein factors required to identify bosonic exponents to anticommuting fermions 8.To obtain the exponential terms it is neces-sary to read the bosonized expression on the transformed four fermion operators 36.With these boson operators the interaction term takes the following form 17:H int =2V aπ2dx (π2Π2σ+(∂φσ)2)+V aa2(cos √8φσ−cos√8θσ)and the umklapp term is H u =−g u8φρ)(cos(√8θσ))(19)We now define the coupling constant g σassociated with the operator cos(√(2πa )2cos√8φa )and cos(√8φa )will generate a cos(√dl=(2−2K a −2K s )g udg sπg u g adg a πg u g sdg fdl =1dl =−1dl=(2−14 ones obtained in Ref.17.We have introduced couplingswhich are generated during theflow,though they are notpresent in the bare hamiltonian:δH=2g a dx8φa−2g f dx8θa+2g s dx8φs(22)These new couplings are g a which is a density-densityinteraction between the two chains and g s which is theumklapp part of this interaction.The coupling g f trans-fers a pair of fermion from one chain to the other andcorresponds to a Josephson coupling between the twochains.For afinite value of the renormalised t⊥that dependson the initial fermi velocity and interactions,one can ne-glect the interaction terms that couple the two bands in anon-resonant way.Hence we can use the aboveflow equa-tions up to a lengthscale l1where t⊥reaches thisfinitevalue,t⊥∼O(1).Above the scale l1,it is more conve-nient to switch to the two band basis in order to studytheflow.By definition of l1we discard any term thatcontains cos√dl =12g2u)dgσdl=(2−2Kρ−2K−1σ)g uIn theσ−sector the remaining cos√8θσhasflowed to a value of order one,and the gap amplitude is evaluated as∆σ=te−lσ.Above the scale lσthe umklapp operator becomes relevant since it is reduced to a simple cos√dl=(2−2Kρ)g u(24)These equations describe completely the Mott transition in the ladder system.An analytical solution can be given both in the limit of very small interchain hopping and for large interachain hopping but in the limit of very small interactions.A numerical integration of the equations allows to obtain the gap for arbitrary initial parameters.1t⊥→0Since the umklapp is irrelevant for a single chain,one can replace theflow,when t⊥is the smallest scale in the problem,bydg udl =(2−11−K∗12(K∗+1/K∗)⊥(27)While deriving this result we have neglected terms gen-erated to second order by t⊥,such as g a,g f and g s.Inthe appendix A we show that including those terms donot affect the dependence of∆ρon t⊥.2V→0,large t⊥Another interesting limit is when t⊥is comparable to t.Note that we always remain in the limit where t⊥<t inorder to keep four points at the Fermi level,otherwise theproblem would be the trivial one of a singlefilled bandof fermions.In that case the initialflow does not existand we start directly with(23).The umklapp operatorhas an initial dimension of2−4K and thus initially de-creases in theflow.However combined with the operatorgσcos√8φρ.This newoperator is relevant,its scaling dimension being2−2Kρ.Theflow equation of this operator reads:dgρ2πg u gσ(28)Using theflow equations at large t⊥(23),we haveg u(l)≈V e−(2−V)l and gσ(l)=V+O(V2l2),these ex-pressions are valid at the beginning of theflow and wehave taken into account only the leading dependence onV.This leads to an approximate expression for gρ,usingthe fact that for small interactions2−2Kρ∝V:gρ(l)=V2tπl−e−2l)(29)The coupling gρstarts at zero and is driven by g u whichis decreasing rapidly.We may now determine the scalel∗where gρbecomes larger than g ing(29)one gets:V2∆ρ,vanishes as a power law of t⊥for small t⊥and as ln∆ρ∝ln V/V for small interaction(see text). which yields l∗∝ln1V which for asymptotically small interactions is much largerthan l∗.The charge gap is dominated by gρand we may safely drop the original umklapp operator which gives only subdominant contributions.The gap in the total charge sector is given by the scale where gρreaches a value of order one.This gives a gapln∆ρ∝ln VFIG.4:Degenerate ground states for two uncoupled chains,(a)and(b).The interchain hopping selects the out of phase configurations(b).Such a ground state is the same in the whole insulating phase,regardless of whether∆1ch>t⊥or not(see text).B Gap for K<1/2The picture is quite different in this case since with-out interchain hopping a gap would be present on each chain.For small t⊥themodel is conveniently studied in the chain basis,using theflow(21).Because thefieldφ1,2 orders,the single particle hopping between the chains is irrelevant(for small t⊥).The only remaining relevant coupling is thus the generated interchain density-density interaction g a.This coupling opens a gap in the antisym-metric sector and ordersφa.The physics is quite clear: in the absence of interchain coupling each chain has a charge density wave ground state that is double degener-ate.In the presence of t⊥,particles still cannot hop from chain to chain because of the Mott gap in each chain, but the virtual hops tend to lock the two CDW relative to each other.This is shown on Figure4.The Mott gap is thus essentially here the single chain gap.The gap as a function of K obtained by numerical integration of the flow is shown in Figure5.IV.PHASE DIAGRAMThe results of section III allow to draw the phase dia-gram of the commensurate ladder,as shown on Figure1. The very existence of an insulating phase in the ladder for1/2<K<1prompts for several questions.A Confinement vs crossover Apparently we have to face two very different behaviors depending on the strength of t⊥.For K<1/2and small t⊥,t⊥renormalizes to zero as was shown in section III B, whereas for large t⊥(or for1/2<K<1where the single chain gap is absent)t⊥renormalizes to large values.One thus seems to have a confinement-deconfinement transi-tion,similar to the one expected for an infinite number of chains,induced by the competition between t⊥and the single chain Mott gap∆1ch.The change of behavior occurs when29,30t eff⊥=∆1ch(32)∆ρ/tFIG.5:Charge gap forfinite t⊥as a function of the Luttinger parameter K,the inset shows curves for differ-ent values of t⊥.For K<1/2the Mott gap is essentially the single chain gap,whereas it is strongly t⊥dependent for1/2<K<1.where t eff⊥is the renormalized interchain hopping.We thus have to determine here whether we have two dif-ferent insulating phases.This can be done by looking at thefields that order in each case.In the“confined”phase we showed in section III B that bothφs andφa acquire mean values.In the“deconfined”phase,as was shown in section III A,θσandφρorders.The physical observable corresponding to an out of phase charge den-sity wave takes the following form with the two different set of boson operators:J z2kf=ψ†1ψ1−ψ†2ψ2(33)=−22φs sin√πasin√2θσIt is easy to see from(33)that the conditions cos√8φρ =−1on the one hand and cos√8φs =−1on the other both give a non zero value to J z2kf .Thus the two“phases”have the same orderedfields(written in a different ba-sis)and there is no transition but a simple crossover. The out of phase charge density waves ground state that arises naturally from the K<1/2picture and is shown in Figure4stays valid even in the other limit.TABLE I:Luttinger liquid parameters at the Mott transition,when varying the strength of the interaction(Mott-U)and when varying the doping(Mott-δ).Parameter1chain LadderK∗Mott−U1/21K∗Mott−δ1/41/2B Doped ladderLet us now determine the phase diagram of the ladder system away from halffilling.Introducing a chemical potential would change the Hamiltonian intoH=H1/2filling−√8φρ)(35) instead ofH Mott1chain= dx cos(4φρ)(36) for the single ing the known generic solution of such Mott systems10we can see that in the ladder the doping will destroy the Mott phase whenµ=∆. The properties at the transition are the generic proper-ties of the Mott transition in one dimension when varying the doping(Mott-δ),namely:(i)a dynamical exponent z=2;(ii)a divergent compressibility on the metallic side.The luttinger liquid exponent is universal and is K∗=1/2.This values is quite different from the one of a single chain.The differences are recalled in Table I. The difference in K∗should be observable in numerical calculations such as exact diagonalization and dmrg.It might be a more clear signature of the difference between the ladder and the single chain that the gap itself spe-cially for K<1/2.These different values of K∗correspond to two differ-ent kinds of elementary excitations.For the gapped sin-gle spinless chain the elementary excitations are domain walls separating charge density waves with a different phase,the equivalent of the excitations called spinons in the spin−1/2Heisenberg model.In a path-integral picture these corresponds to configurations where the fieldφis step-like with for instanceφ(−∞,t)=0and φ(+∞,t)=π/2.However such a configuration on onechain with a nearly constant configuration on the sec-√ond chain has an infinite cost when there is a cos8Given the fact that when a Mott gap is well estab-lished in a single chain the interchain hopping scales to zero,whereas it scales to large values otherwise,it was important to know whether there was a confinement-deconfinement transition.We have shown that there is in the spinless ladder only a crossover and that the two seemingly different insulating phases (large Mott gap on a single chain and small t ⊥and large t ⊥and small (or zero)single chain Mott gap)are in fact of the same na-ture.This leaves open how this cross-over should evolve for an increasing number of coupled chains to give back the confinement-deconfinement transition expected for an in-finite number of chains.ACKNOWLEDGMENTST.G.and P.D.would like to thank D.Poilblanc and S.Capponi for interesting discussions in the early stages of this work.One of the author (Y.S.)is indebted to the financial support from Universit´e Paris–Sud.This work was partially supported by a Grant-in-Aid for Scientific Research from the Ministry of Education,Science,Sports and Culture (Grant No.09640429),Japan.APPENDIX A:TERMS GENERATED TOSECOND ORDER BY T ⊥The RG equations (21)show that during the first part of the flow up to l 1,t ⊥generates to second order the term g a cos√8φs (noticingthat φρ=φs ,we switch to the notation g ρinstead of g s ).This term is initially not present in the hamiltonian.However it is generated and relevant for any repulsive interaction.One must thus make sure that this term does not grow so fast as to open the gap before the original umklapp term.If it were the case this would change the expression for the charge gap compared to the one given in the text.To determine the growth of this coupling,we have to determine g a (l ).Naively the scaling dimension of g a is 2−2K ,however it is generated by t 2⊥,term of dimension 4−(K +1/K ).Comparing the two rates shows that the source term dominates.Integration then shows that g a (l )∝t 2⊥(l ).We may now repeat the same analysis for g ρ,indeed its scaling dimension is 2−2K but it is actually driven by g u (l )g a (l ),term of dimension 6−5K −1/K ,dominant in the regime considered here (K >1/2).Consequently one has g ρ(l )∝g u (l )g a (l ).Thus at the scale l 1,where t ⊥is of order one,one has g ρ(l 1)≈g u (l 1).To complete the argument we note that the couplings g ρ(l )cos √8φρcos√8θσ =0.Recalling that the flow between l 1and l σdoes not change the asymptotic dependence on t ⊥and that g u (l 1)and g ρ(l 1)are proportional we recover by following the flow of the coupling g ρthe behavior explained in the text.REFERENCES†Electronic address:donohue@lps.u-psud.fr‡Electronic address:tsuchiiz@edu2.phys.nagoya-u.ac.jp§Electronic address:giam@lps.u-psud.fr∗∗Electronic address:e43428a@.nagoya-u.ac.jp 1H.J.Schulz,Fermi liquids and non–Fermi liquids (El-sevier,Amsterdam,1995),p.533.2J.Voit,Rep.Prog.Phys.58,977(1995).3A.O.Gogolin,A.A.Nersesyan,and A.M.Tsvelik,Bosonization and Strongly Correlated Systems (Cam-bridge University Press,Cambridge,1999).4C.Bourbonnais and L.G.Caron,Int.J.Mod.Phys.B 5,1033(1991).5X.G.Wen,Phys.Rev.B 42,6623(1990).6V.M.Yakovenko,JETP Lett.56,510(1992).7D.G.Clarke,S.P.Strong,and P.W.Anderson,Phys.Rev.Lett.72,3218(1994).8H.J.Schulz,in Correlated fermions and transport in mesoscopic systems ,edited by T.Martin,G.Montam-baux,and J.Tran Thanh Van (Editions fronti`e res,Gif sur Yvette,France,1996).9A.Georges,T.Giamarchi,and N.Sandlers,Phys.Rev.B 61,16393(2000).10T.Giamarchi,Physica B 230-232,975(1997),and ref.therein.11V.Vescoli,L.Degiorgi,W.Henderson,G.Gr¨u ner,K.P.Starkey,and L.K.Montgomery,Science 281,1191(1998).12J.Moser,M.Gabay,P.Aubin-Senzier,D.Jerome,K.Bechgaard,and J.Fabre,Eur.Phys.J.B 1,39(1998).13W.Henderson,V.Vescoli,P.Tran,L.Degiorgi,and G.Gr¨u ner,Eur.Phys.J.B 11,365(1999).14D.J´e rome and H.J.Schulz,Adv.Phys.31,299(1982).15E.Dagotto and T.M.Rice,Science 271,5249(1996).16L.Balents and M.P.A.Fisher,Phys.Rev.B 53,12133(1996).17A.Nersesyan,A.Luther,and F.Kusmartsev,Phys.Lett.A 176,363(1993).18M.Fabrizio,Phys.Rev.B 48,15838(1993).19D.V.Kveschenko and T.M.Rice,Phys.Rev.B 50,252(1994).20A.M.Finkelstein and rkin,Phys.Rev.B 47,10461(1993).21H.J.Schulz,Phys.Rev.B 53,R2959(1996).22N.Nagaosa,Sol.State Comm.94,495(1995).23H.Yoshioka and Y.Suzumura,J.Low Temp.Phys 106,49(1997).924E.Dagotto,J.Riera,and D.Scalapino,Phys.Rev.B 45,5744(1992).25R.Noack,S.White,and D.Scalapino,Phys.Rev.Lett.73,882(1994).26D.Poilblanc,D.J.Scalapino,and W.Hanke,Phys.Rev.B52,6796(1995).27D.Poilblanc,H.Tsunetsugu,and T.M.Rice,Phys.Rev.B50,6511(1994).28H.Tsunetsugu,M.Troyer,and T.M.Rice,Phys.Rev.B49,16078(1994).29Y.Suzumura,M.Tsuchiizu,and G.Gr¨u ner,Phys.Rev.B57,R15040(1998).30M.Tsuchiizu,Y.Suzumura,and T.Giamarchi,Prog.Theor.Phys.101,763(1999).31M.Tsuchiizu and Y.Suzumura,Phys.Rev.B59, 12326(1999).32K.Le Hur,preprint,cond-mat/0006224(2000).33H.Lin,L.Balents,and M.P.A.Fisher,Phys.Rev.B 58,1794(1998).34H.J.Schulz,Phys.Rev.B59,R2471(1999).35R.Konik,F.Lesage,A.W.W.Ludwig,and H.Saleur, Phys.Rev.B61,4983(2000).36T.Giamarchi and H.J.Schulz,J.Phys.(Paris)49, 819(1988).37F.D.M.Haldane,Phys.Rev.Lett.45,1358(1980). 38A.Luther and I.Peschel,Phys.Rev.B12,3908 (1975).。
量子反常霍尔效应的英语Quantum Anomalous Hall EffectThe Quantum Anomalous Hall effect (QAHE) is an exotic state of matter, discovered in 2014, that occurs when atwo-dimensional system of electrons is subjected to certain types of magnetic fields that cause the electrons to form tiny vortices. These vortices, or 'globally-coupled spin-orbit excitations', allow electrons to move in a way that would normally be impossible, creating a Hall effect that is not consistent with conventional physics. The QAHE has been proposed as a possible way to create spintronic devices, which could be used to make more efficient electronic components for a variety of applications.The Quantum Anomalous Hall effect is an example of a topological phase of matter, which is characterized by its insensitivity to certain types of perturbations. This means that, unlike conventional material, it is not easily disrupted by slight changes in temperature or pressure. This makes it ideal for applications that require precision and reliability. Furthermore, the QAHE could be used in quantum computing due to its insensitivity to noise and low power requirements.The Quantum Anomalous Hall effect has been observed in avariety of materials, including graphene, bismuth-selenium compounds, and thin films of antimony-tellurium alloys. It has also been proposed as a possible way to createradiation-resistant transistors that could be used in devices such as telecommunication satellites and high-altitude aircraft.The Quantum Anomalous Hall effect is an exciting new discovery, and it may open up new possibilities for technological advances in the near future. For example, spintronic devices based on the QAHE could lead to improved energy efficiency and faster data processing. Furthermore, its potential in quantum computing could revolutionize the way we store and process information. As research continues, it is likely that the QAHE will continue to prove itself as a valuable tool for technological advancement.。
常用INCAR文件例子1. Static calculationsJust remove the WAVECAR file and start from scratch, no parameters must be specified in the INCAR file. The defaults forISTART = 0 # startjob: no WAVECAR fileICHARG = 2 # charge: from atomsINIWAV = 1 # random initialization for wf.NELM = 40 # maximum of 40 electronic stepsNELMIN = 2 # minimum of two stepsNELMDL = -5 # no update of charge for 3 stepsEDIFF = 10E-4 # accuracy for electronic minimization2. Continuation of a calculationIn some cases it makes sense to start from an old WAVECAR file (for instance to continue relaxation or to continue with an increased energy cutoff ENCUT). In this case just keep the WAVECAR file and start VASP. Again, an empty INCAR file will suffice.ISTART = 1 # continue from WAVECAR fileICHARG = 0 # charge from wavefunctionsNELM = 40 # maximum of 40 electronic stepsNELMIN = 2 # minimum of two stepsNELMDL = 0 # immediately update chargeYou can set ICHARG=1 by hand if an old CHGCAR file exists. If the charge sloshing is significant this will save a few steps, compared to the default setting. To continue relaxation from a previous run copy the CONTCAR file to POSCAR.3. Recommended minimum setupAlthough the previous calculations can be performed using an empty INCAR file it is recommended to specify a few parameter always manuallyPREC = Normal # precision normalENCUT = 300 # cutoff used throughout all calculationsLREAL = .FALSE. or Auto # real space projection yes / noISMEAR = 0 or 1 or -5 # method to determine partial occupanciesThese four parameters should be present in all calculations. They completely control the technical accuracy of the calculations in particular the basis sets (ENCUT), and wether the real space projection scheme is used or not. Total energies of two calculations should be only compared and subtracted, if the first three parameters are set identically in both calculations.Ideally the parameter ISMEAR should be also identical throughout all calculations (but this might be difficult in some cases).4. Efficient relaxation from an unreasonable starting guessIf you want to do an efficient relaxation from a configuration that is not close to the minimum, set the following values in the INCAR file (for briefness the recommended setup is lackingNELMIN = 5 # do a minimum of four electronic stepsEDIFF = 1E-2 # low accuracyEDIFFG = -0.3 # accuracy of ions not too highNSW = 10 # 10 ionic steps in ionsIBRION = 2 # use CG algorithmThis way only low accuracy will be required in the first few steps, but since a minimum of 5 electronic steps is done the accuracy of the calculated electronic groundstate will gradually improve. If you are a slightly advanced user you can also use the damped MD algorithm, which is usually more efficient than the CG one:IBRION = 1 ; SMASS = 0.4 # damped MDPOTIM = 0.4 # time step needs to chosen with careIn this case, a too large POTIM will result in divergence.5. Efficient relaxation from a pre-converged starting guessClose to a local minimum the variable-metric (RMM-DIIS algorithm) is most efficient. INCAR file (for briefness the recommended setup is lacking):NELMIN = 8 # do a minimum of ten electronic stepsEDIFF = 1E-5 # high accuracy for electronic groundstateEDIFFG = -0.01 # small tolerance for ionsNSW = 20 # 20 ionic steps should doMAXMIX = 80 # keep dielectric function between ionic movementsIBRION = 1 # use RMM-DIIS algorithm for ionsNFREE = 10 # estimated degrees of freedom of the systemNow very accurate forces are required (EDIFF is small). In addition a minimum of eight electronic steps is done between each ionic updated, so that the electronic ground state is always calculated with very high accuracy. NELMIN=8 is only required for systems with extreme charge sloshing which are very hard to converge electronically. For most systems values between NELMIN=4 and NELMIN=6 are sufficient.6. Molecular dynamicsPlease see section 9.7.7. Making the calculations fasterUse the following lines in the INCAR file to improve the efficiency of VASP for large systems: ALGO = Fast # RMM-DIIS algorithm for electronsLREAL = A # evaluate projection operators in real spaceNSIM = 4 # blocked algorithm update, four bands at a timeINCAR中常用关键词:注释行:SYSTEM初始化参数-电荷和波函数:ISTART, ICHARG, INIWAY电子结构优化:平面波截断动能和缀加电荷截断值:ENCUT, ENAUG电子优化方法:ALGO, IALGO, LDIAG自恰迭代步数和收敛标准:NELM, NELMIN, NELMDL, EDIFF 原子结构优化:位置移动方法、步长和步数:IBRION, NFREE, POTIM, NSW分子动力学:SMASS, TEBEG, TEEND, POMASS, NBLOCK, KBLOCK, PSTRESS 收敛标准:EDIFFG态密度计算:smearing方法:ISMEAR, SIGMA能量范围:EMIN, EMAX, NEDOS分波态密度:RWIGS, LORBIT其他:计算精度:PREC磁性计算:ISPIN, MAGMOM, NUPDOWN交换关联函数:GGA, VOSKOWN结构优化参数:ISIF等等Smearing方法的选择:总能/DOS计算:k点数目大于4:布洛赫修正的四面体方法,ISMEAR=-5k点数目小于4:Gaussian方法,ISMEAR=0,设置Sigma计算力或结构优化:半导体和绝缘体:同上金属:M-P方法,N=1或2,设置Sigma能带计算:ISMEAR和SIGMA采用默认值不管何种体系、计算什么性质采用ISMEAR=0,并选择合适的SIGMA值都能得到合理的结果线性四面体方法和布洛赫修正的线性四面体方法一定要检验能量收敛情况赝势选择:赝势分类原则如下,根据方法不同有Ultra-soft赝势(USPP)和增广平面波赝势(PAW)根据交换关联函数不同有LDA和GGA(又可以再分为PW91和PBE)根据半芯态处理有X,X_sv和X_pv根据ENMAX的不同有X,X_s和X_h计算磁性材料,所计算体系含有碱金属、碱土金属、周期表左边的3d过渡元素、镧系和锕系元素时推荐采用PAW势。
a r X i v :c o n d -m a t /0303321v 1 [c o n d -m a t .s t r -e l ] 17 M a r 2003Spin vs charge excitations in heavy-fermion compounds ∗R.J.RadwanskiCenter for Solid State Physics,S nt Filip 5,31-150Krakow,PolandInstitute of Physics,Pedagogical University,30-084Krakow,PolandZ.Ropka Center for Solid State Physics,S nt Filip 5,31-150Krakow,Poland email:sfradwan@.pl,.pl It is pointed out that the answer on the question about the role played by spin and charge excitations will help to solve the physical origin of the heavy-fermion phenomena.Our answer is that neutral spin-like excitations are re-sponsible for the heavy-fermion phenomena whereas the role of the charge excitations is negligible.PACS No:75.20.H;Keywords:heavy fermion,spin excitations,charge excitations I.INTRODUCTION The microscopic origin of the heavy-fermion phenomena and the nature of quasiparticles,despite of 25years of very intensive theoretical and experimental studies,is still a subject of controversy [1–9].The aim of this paper is to point out that neutral spin-like excitations are responsible for the heavy-fermion phenomena whereas the role of charge excitations is negligible (An extra remark -this sentence has been underlined by the Chairman of SCES-02in the rejected copy with a note -WRONG!!).II.THEORETICAL UNDERSTANDINGCharacteristic heavy-fermion (h-f)phenomena like a large low-temperature specific heat,a non-magnetic state (we would rather say a weakly-magnetic state)anticipated from a Pauli-like low-temperature susceptibility and the anomalous resistivity have been basicallydiscussed in terms of the Fermi liquid(FL).In the FL picture the excitations are charged and they become possible due to the strong hybridization of f-electron and conduction-electron states.In the FL picture the f states lie at the Fermi level and,as a consequence of the strong hybridization,the number of the f electrons,n f,becomes not integer.The occupation number n f is the important factor in the FL description as many physical properties are renormalized by the term(1-n f)−1.Kondo temperature is directly related to this factor as one can read from Eq.15in Ref.[3],p.608.In this picture the disappearance of the local moment is related to the unoccupied f states[3].Thus,in the FL picture a deviation of the occupation number n f from the integer value and the charge excitations play the fundamental role in formation of heavy-fermion phenomena.In our understanding of heavy-fermion phenomena we think that even in Ce,U,Yb com-pounds,exhibiting the h-f phenomena,the f states lie much below E F like in conventional rare-earth compounds[10].A large low-temperature specific heat is related to the magnetic excitations well understood in conventional rare-earth compounds in case of the Kramers electron systems,i.e.systems with an odd number of the f electrons.Such the odd number electron system is realized in case of the f1(Ce3+),f3(U3+),f13(Yb3+)systems.All of them have the Kramers doublet charge-formed(CF)ground state.This double degeneracy has to be removed before the system reaches0K and,according to us,the h-f compounds are compounds with extremely small magnetic temperatures.The removal of the Kramers degeneracy is equivalent to the time-reversal symmetry breaking(on the atomic scale)and to the formation of the magnetic state(on the atomic scale).These phenomena can be well discussed within the Quantum Atomistic Solid-State Theory(QUASST),that points out that f atoms preserve much of their atomic properties becoming the full part of a solid[11]. In our model there is no single Sommerfeld coefficientγwithin the wide,but still below,say, 2K,temperature range.In contrary to a very loosely term”non-Fermi liquid behaviour”QUASST predicts that the ground state of the h-f compound is magnetic,i.e.with the broken time-reversal symmetry.Moreover,it is the state with a low local symmetry and the broken translational symmetry,in a sophisticated manner,leading to the differentiation ofthe f atoms with respect to the shape of the CF ground state and of the magnetism.It causes that the magnetic state is not coherent with respect to temperature,space and the local moment direction,in the sense that local magnetic states,marked by the splitting of single-ion Kramers doublet,appear at slightly different temperatures at different sites and with different direction of the local moment.According to this understanding the excitations are neutral,spin-like and of very small energy.They mimics a spin-liquid with non-trivial properties like the strong spin-lattice coupling and the substantial orbital contribution to the magnetic moment.In the theoretical description it will appear as the need for the at-tributing the spin with unusual highly anisotropic properties.This fact causes that the local excitations,with the reversal of the local moment,is not longer a local event The Sommer-feld coefficientγcan be extremely large at low temperatures-Ropka has calculatedγof 25J/K mol[12].The lower magnetic temperature,i.e.the temperature where the splitting of the Kramers doublet appears,the largerγcan be.It is very important that our model overcomes the Nozieres exhaustion argument[13]about insufficient number of conduction electrons to compensate all localized moments,of value comparable to that observed in the paramagnetic state,by means of spin-compensation mechanism.We have shown that the crystal-field(charge)mechanism,related to the anisotropic charge distribution at the vicinity of the paramagnetic cation,is much more effective than the spin-compensation mechanism [14]in the reduction of the local magnetic moments,even down to almost zero.Anisotropic charge distribution around the4f-cation can produce the crystal-electric-field(CEF)ground state with a quite small magnetic moment even in case of Kramers system.III.DISCUSSIONWe take the growing evidence for the Non-Fermi-Liquid behaviour revealed in rapidly growing number of compounds as the confirmation of our understanding of the heavy-fermion phenomena.Our understanding,with the integer number of f electrons,concurs with theoretical results of Doradzinski and Spalek who came to a number of f electrons so closeto1as0.995[9].It is worth to remember that values for n f were given in years1985-1990as about0.70-0.80,see[7],for instance-thus a value of0.995we take as practically1.Within our model we have managed to describe low-temperature specific heat of Nd2−x Ce x CuO4as originating from excitations to the conjugate Kramers state of the Nd3+ions[15]despite that Nd2−x Ce x CuO4has been announced in1993as a new class of heavy-fermion superconducting compounds.We have managed to describe an anomalous temperature dependence of the quadrupolar splitting in YbCu2Si2as the conventional crystal-field effect on the Yb3+ions [16].It was an important result as this anomalous dependence was given as the conclusive evidence for the hybridization of f electrons and conduction electrons.Thus,the good description within the crystal-field model has abolished the hybridization mechanism and that a n f value of0.82(hole)as completely artificial as Yb behaves in YbCu2Si2as the4f13 system.The existence of3f electrons as highly-correlated5f3system has been proved in heavy-fermion superconductor UPd2Al3by observation of well defined CEF-like states[17].QUASST can be applied not only to intermetallics,where the h–f behaviour was found originally,but also to insulating rare-earth systems,known as low-carrier systems(Sm3Se4, Yb3S4)and to nuclear systems(3He).Our model,developed already in1994,has predicted the possibility of h-f phenomena in3d and4d compounds-the h-f behaviour has been discovered in LiV2O4in1997,indeed.QUASST predicts smooth crossover from the heavy-fermion state to the conventional localized-moment state with the Curie-Weiss law fulfilled, in agreement with observations.The f electrons,being localized in a number n depending on the partners and on the composition of a considered compound,are taking the active part in the solid-state bonding,via the conventional coulombic interactions.Finally,we are at the Conference devoted to Strongly-Correlated Electron Systems.In our atomic-like approach the correlations among the f electrons are taken to be really very strong(thanks them,atomic-like terms and multiplets as well as three Hund’s rules are fulfilled).IV.CONCLUSIONSWe claim that heavy-fermion phenomena are caused by neutral spin-like excitations, whereas the role of the charge excitations is negligible.The ground state of heavy-fermion compounds is magnetic with the time-reversal symmetry broken at the atomic scale.An extra note added.We take a recent paper of Zwicknagl,Yaresko and Fulde,Phys. Rev.B65(2002)081103,that came to our attention during the SCES-02Conference,with a novel model for heavy-fermion phenomena with two localized f electrons as confirmation of our10-year understanding of heavy-fermion phenomena with the importance of crystal-field states.In particular,in the situation of Prof.P.Fulde who by twenty years advocated for the itinerant f-electron origin of heavy-fermion phenomena.It is worth to remind that in the SCES-94Conference the crystal-field theory has been rejected from the conference presentation as not at all related to heavy-fermion physics.All members of the International Advisory Committee have been informed about this abnormal situation but noone of them react in order to fulfill normal scientific rules within the magnetic community.Moreover, our CEF approach to heavy-fermion phenomena has been continuously rejected by Fulde, acting as the Editor,from publication in Zeitsch.Physik B(e.g.No MS606/94).Thus, we welcome this recent Zwicknagl et al.’s paper admitting the existence of CEF states in heavy-fermion and uranium compounds,though we think that the treatment of CEF in this paper is very oversimplified.There still is a problem of the existence of the5f2or5f3system in UPd2Al3.In contrary to the5f2system considering by Zwicknagl et al.there is large evidence for the5f3system.This evidence was published already in1992,see references in Ref.[17],but Zwicknagl et al.have ignored it.*This paper has been submitted31.05.2002to Strongly Correlated Electron Conference in Krakow,SCES-02getting a code NFL023.It has been presented at the Conference,but has been rejected by the Chairman of SCES-02.The paper has been given under the law and scientific protection of the Rector of the Jagellonian University in Krakow,of the University of Mining and Metallurgy and of PolishAcademy of Sciences.[15]R.J.Radwanski,Solid State Commun.99,981(1996).[16]R.J.Radwanski,J.Alloys&Comp.232,L5(1996).[17]R.J.Radwanski,R.Michalski,Z.Ropka,Physica B276-278,803(2000).。