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First principles investigation of the structure and electronic properties of Cu2Te

First principles investigation of the structure and electronic properties of Cu2Te
First principles investigation of the structure and electronic properties of Cu2Te

First principles investigation of the structure and electronic properties of Cu 2

Te

Yinggan Zhang a ,Baisheng Sa a ,b ,Jian Zhou a ,Zhimei Sun a ,b ,?

a Department of Materials Science and Engineering,College of Materials,Xiamen University,361005Xiamen,China b

Collaborative Innovation Center of Chemistry for Energy Materials,Xiamen University,361005Xiamen,China

a r t i c l e i n f o Article history:

Received 7May 2013

Received in revised form 28June 2013Accepted 5August 2013

Available online 17September 2013Keywords:

Transition-metal telluride Density functional theory Chemical bonding Electronic structure

a b s t r a c t

By means of ab initio random structure search,we have revealed the crystal structure of Cu 2Te,which is in agreement with the experimentally proposed Nowotny’s model.We have then performed extensive cal-culations based on density functional theories (DFT)on this Cu 2Te structure.We have shown that the strong on-site Coulomb repulsion among the localized Cu 3d electrons has to be included via the addition of a proper U in order to describe the crystal structure precisely.Furthermore,the Te–Te bond in Cu 2Te shows the feature of van der Waals bonding,while the Cu–Te and Cu–Cu bonding are mainly strong cova-lent.By analyzing the density of states and electronic band structure,we have shown that Cu 2Te is a metallic conductor.Finally,the existence of a special Dirac-like cone at the K point in the electronic band structure of Cu 2Te reminisces that observed in graphene and topological insulators.

ó2013Elsevier B.V.All rights reserved.

1.Introduction

Chalcogenide alloys are widely investigated for the applications in various areas,for example,binary Sb 2Te 3,Bi 2Te 3were reported to be topological insulators (TIS)with a conducting surface state which consisting of a single Dirac cone at the C point [1,2],which have promising applications in quantum computer or spintronic devices.For ternary chalcogenides or multi-component chalcoge-nides,the fast reversible phase transition between amorphous and crystalline phases of the chalcogenides as well as the induced great contrast in physical properties between the two states make the optical and electrical data storage devices commercially avail-able [3,4].As far as we know,the stable phases of all the ternary and binary chalcogenides mentioned above are layered compound.The interaction between the adjacent Te atoms in these layered materials has been argued to be van der Waals-like weak bonding,which plays an important role in their physical and chemical prop-erties [5].

Among the layered chalcogenides,Cu 2Te has been widely used as a back contact material for CdTe solar cell,which is important cost-effective thin-?lm solar cells with a high cell ef?ciency of 16.4%[6].Moreover,Cu 2Te is an attractive material for its thermo-electric applications since tellurides not only have the ability to yield both p and n type materials by doping but also have very high thermopower [7,8].Pseudo binary Cu 2Te–Tl 2Te shows a higher ZT value than pure Tl 2Te [9].The superionic conductivity of Cu 2Te shows large ionic conductivities comparable to its electrolyte solu-tions well below its melting temperature which makes it an attrac-tive material [10].

However,the crystal structure of Cu 2Te is not yet clear,which could have at least ?ve phase transformations from room temper-ature to 850K.Vouroutzis et al.argued that the ‘‘average’’struc-ture of these phases could be represented by the Nowotny’s model [11–15].A clear picture of the crystal structure will be help-ful for the further understanding of Cu 2Te.Moreover,a compre-hensive understanding of the electronic structure and chemical bonding of Cu 2Te will provide guidances for its applications in var-ious areas.In this work,the equilibrium crystal structure and atom positions of Cu 2Te were obtained by ab initio random structure search.We found that the Nowotny’s structure shows the lowest total energy among all the possible structures.Furthermore,we have extensively investigated the electronic strong correlated ef-fect,electronic structure and chemical bonding of the Nowotny’s structured Cu 2Te.

https://www.doczj.com/doc/764275746.html,putational methods and details

The calculations are based on the density functional theory (DFT)in conjunction with the projector-augmented-wave (PAW)[16]potentials which is implemented in the Vienna ab initio Sim-ulation Package (VASP)[17,18].The generalized gradient approxi-mations (GGA)of Perdew–Burke–Ernzerhof (PBE)[19]and the local density approximation (LDA)[20]were used for the ex-

0927-0256/$-see front matter ó2013Elsevier B.V.All rights reserved.https://www.doczj.com/doc/764275746.html,/10.1016/https://www.doczj.com/doc/764275746.html,matsci.2013.08.009

?Corresponding author at:Department of Materials Science and Engineering,College of Materials,Xiamen University,361005Xiamen,China.Tel.:+865922186664.

E-mail addresses:zmsun@https://www.doczj.com/doc/764275746.html, ,zhmsun2@https://www.doczj.com/doc/764275746.html, (Z.Sun).

change–correlation functional.The k-points of9?9?5were automatically generated with Gamma symmetry.The valence elec-tron con?gurations for Cu and Te were3p63d104s1and5s25p4.Both the relaxation convergence for ions and electrons were 1?10à6eV.The tetrahedron method with Bl?chl corrections[21] was used.The crystal structure and electron charge density calcu-lated for the equilibrium structures were analyzed by the VESTA [22]code.

In order to test the convergence and accuracy of our calcula-tions,we have studied the convergence of the total energy E total, lattice parameters a and c,the bond lengths of Cu–Cu,Cu–Te and Te–Te with respect to the cutoff energies.The results for these parameters as a function of cutoff energy E cutoff are shown in Fig.1,where the changes of the above parameters are given in the percentage with respect to the calculations obtained at E cutoff= 1000eV[23].As seen in Fig.1,by using a cutoff energy of800eV, the total energy changes by0.001%,lattice parameters a and c change by0.008%and0.135%,respectively.And the changes of the bond lengths for Cu–Cu,Cu–Te and Te–Te are0.032%,0.005% and0.232%,respectively.It is clear that all the test parameters achieve good convergence at a cutoff energy of800eV.Therefore, we used this value in the present work.

The on-site Coulomb interactions in the localized copper3d electrons are described by using the formalism formulated by Dudarev et al.[24–26].In this scheme,the total LDA(GGA)energy functional can be summarized by the following expression:

E LDAtUeGGAtUT?E LDAeGGATtUàJ

2

X

r

?Tr q ràTreq r q rT ;e1T

where U and J are respectively the spherically averaged screened E PBE-Grimme?E PBEtE disp;e2Twhere E PBE is the self-consistent Kohn–Sham energy obtained from PBE,and E disp is the semi-empirical correction de?ned as:

E disp?às6

X N at

i?1

X N at

j?1

X

L

C ij

6

j r i;0àr j;L j

fej r i;0àr j;L jTe3Tand f(r ij)is the damping function given as below:

fer ijT?

1

1teàd=er ij=R ijà1T

e4T

Here C ij

6

?

???????????

C i

6

C i

6

q

is the dispersion coef?cient,and R ij=R i+R j is the van der Waals radius.The details of the parameters in the above equations have been fully described by Bucˇko et al.[28].The values

of C i

6

are10.80and31.74J nm6molà1for Cu and Te[27],respec-tively.And values of R i are1.562and1.892?for Cu and Te[27], respectively.

3.Results and discussion

According to the experimental investigation by the Rietveld method,Cu2Te has a hexagonal structure with lattice parameters a=4.237?and c=7.274?,which belongs to the space group of P6/mmm(No.191)[11].However,the atomic con?gurations are still in debate.Herein,we studied all the possible structures for Cu2Te with the space group P6/mmm and coordination number Z=2by ab initio random structure research.The illustrations of the structures are shown in Fig.2.The corresponding calculated to-tal energy,lattice parameters and Wyckoff positions of the above structures listed in Table1are based on the LDA calculation.It is

calculated total energy E total,lattice parameters a and c,the bond-lengths for Cu–Cu,Cu–Te and Te–Te as a changes of the above parameters with respect to the calculated values at a cutoff energy of1000eV.

164Y.Zhang et al./Computational Materials Science81(2014)163–169

e1323z T,e2313z T,e2313 z T,e1323

z Tand the Wyckoff positions for Te are 2e sites:e00 z T,(00z ).

To overcome the overestimating lattice parameter c by LDA and to get the correct structural information of Cu 2Te,we further opti-mized the structure by PBE and DFT-D2approaches.Table 2lists the calculated lattice parameters,bond lengths and atomic posi-tions of Cu 2Te using the LDA,PBE and DFT-D2approaches as well as the experimental results from Nowotny et al.[11].As seen in Table 2,the LDA and DFT-D2approximations predicted smaller

lattice parameters than PBE.Furthermore,the results of LDA and DFT-D2agree much better with the experimental results than PBE.It is because that the PBE approximation does not include the long range weak interaction force which dominates the Te–Te weak bonding in Cu 2Te.Therefore,in this paper below we mainly discuss the results based on the LDA and DFT-D2ap-proaches rather than PBE.As estimated from Table 1,the lattice parameter a deviates from experimental results by à1.6%and 0.2%using the LDA and DFT-D2,respectively.Hence,the calculated lattice parameter a is in good agreement with the experimental re-sult.However,the lattice parameter c is quite large in both LDA and DFT-D2.It is also noted in Table 2that the Cu–Cu and Te–Te bond lengths,especially the Te–Te bond length,are much larger than the experimental results.This indicates that the lattice parameter c is determined by the Te–Te bond since the bond of Te–Te is along the c direction.Therefore,more accurate descrip-tions of the Te–Te bond length are essential to get the correct structural information.

The results in Table 2show that standard DFT method fails to give the accurate lattice parameters for Cu 2Te.The description of strongly localized orbital such as d -orbital is an issue when using the density functional approximations [29].Very recently,R?san-der et al.investigated the electronic structure of ?uorite Cu 2Se using the LDA +U approach [30].They pointed out that the results obtained by LDA +U provide a good description for Cu 2Se.Hence we introduced DFT +U to further understand Cu 2Te.Table 3lists the calculated lattice parameters,bond lengths and atomic posi-tions of Cu 2Te with various U eff values.As seen in Table 3,the lat-tice parameter a increases with the increase of U values.Meanwhile,the lattice parameter c ?rstly decreases and then in-creases with the increase of U values.The same is true for the Te–Te bond length,and both correlate to the U values.It is clear that the lattice parameter c is closely correlated to the Te–Te bond length.At U =7.5eV,the Te–Te bond length is 3.173?.In this case,the bond length of Cu–Te and Cu–Cu as well as the positions of Cu and Te agree well with the experimental values [11].Even though the calculated lattice parameter c is still larger than that of exper-iments,it is within an acceptable error range.Based on the above analysis,we used a valid U =7.5eV for further calculations.On the other hand,to further investigate whether this U value will af-fect our previous conclusion of the lowest energy structure for Cu 2-Te,we have performed ab initio calculations for all the structures shown in 2using the LDA +U ,PBE +U and DFT-D2+U approxima-tions,where U =7.5eV.The calculated results are listed in Tables A3–A5in the Appendix,respectively.It is clearly that all the results support our previous conclusion that the Nowotny phase is the most stable

structure.

Fig.2.The possible crystal structures by ab initio random structure research.The blue balls are Cu atoms,the brown balls are Te atoms.The crystal structure (a)is the Nowotny’s model.(For interpretation of the references to color in this ?gure legend,the reader is referred to the web version of this article.)

Table 1

The calculated total energy,lattice parameters and Wyckoff positions for different structures of Cu 2Te in Fig.2using the LDA approach.

Total energy (eV)

Lattice parameters (?)Wyckoff position a

c Cu

Te

a à25.626 4.1698.2344h :e13233

20T

e231317

20T

2e :e0034

125Te0091

125T

e2313320Te13231720T

b à20.696 4.9087.1924h :e132369200Te2313131

200T2c :e13230Te2313

0T

e231369200Te1323131200T

c à22.855 4.920 4.9722e :e002371000Te00763

1000T

2d :e132312T

e23

1312T

2c :e13230Te231

30T

d à24.839 4.0267.0192d :e132312Te23131

2T

2e :e0014Te0034T

2c :e13230Te231

30T

e à21.752 4.4599.3562e :e00123500Te00377

500T

1b :e0012T2d :e132312Te23131

2T

1a :(000)f

à24.363

4.362

8.615

2d :e132312Te23131

2T

1b :e0012T2c :e13230Te231

30T

1a :e000T

Science 81(2014)163–169165

tron charge density of Cu 2Te in the (110)plane by the LDA +U ,PBE +U and DFT-D2+U approaches,where the value of U is 7.5eV.The bond points for the bonds are also presented in the ?g-ure.The bond point is the saddle point in the electron charge with two negative eigenvalues and one positive eigenvalue of the Hes-sian matrix of the charge density [31].It is seen in Fig.3that LDA +U and DFT-D2+U calculations give very similar chemical bonding picture for Cu 2Te.However,PBE +U does not present any effective chemical bonding between the adjacent Te layers.These results agree with our above analysis that PBE does not in-clude the long range weak interaction force which plays a key role in Cu 2Te.As seen in Fig.3(a and c),the bond point for Te–Te is 0.034e/au 3by LDA +U and is 0.036e/au 3by DFT-D2+U in Cu 2Te.The bond point of typical van der Waals type bond in tellurides is 0.016e/au 3for Sb 2Te 3(LDA)and is 0.011e/au 3for the [(GeTe)m

6.0 4.200

7.5980.1580.290 2.624 2.407 3.1866.5 4.2037.5920.1590.290 2.624 2.408 3.1867.0 4.2057.5690.1590.290 2.624 2.405 3.1737.5 4.2097.5590.1590.290 2.624 2.404 3.173

8.0 4.2188.2320.1530.264 2.599 2.526 3.8898.5 4.2218.2420.1530.263 2.599 2.530 3.905

9.0 4.2248.2340.1540.263 2.598 2.536 3.9049.5 4.2278.2330.1540.263 2.599 2.540 3.90710.0

4.230

8.229

0.155

0.263

2.598

2.550

3.909

Fig.3.The electron charge density in the (110)plane for Cu 2Te crystallized in the Nowotny’s model using (a)LDA +U ,(b)PBE +U ,(c)DFT-D2+U .The electron charge density using (d)LDA,(e)PBE,(f)DFT-D2are also illustrated for comparison.The graphs are under the same saturation levels.The interval between the contour lines 0.015e/au 3.The color scale is given at the left of the ?gure.(For interpretation of the references to color in this ?gure legend,the reader is referred to the web version of this article.)

Fig.4.The total and partial density of states for Cu 2Te crystallized in the Nowotny’s model based on LDA +U (left of graph)and DFT-D2+U (right of graph),where the value of U is 7.5eV.The black,red and blue lines represent s ,p and d states,respectively.The Fermi level is set to 0eV.(For interpretation of the references to color in this ?gure legend,the reader is referred to the web version of this article.)

(Sb 2Te 3)n ]supperlattice (DFT-D2)[32,33].Obviously,in Cu 2Te the

bond strength distributions of the charge density using LDA +U and DFT-D2+U predict a stronger Te–Te interaction rather than a pure van der Waals bonding.It is also noted in Fig.3that the electron charge densities around Te atoms show strong anisotropic property.Finally,the Te–Te bond is much weaker that the Cu–Te covalent bond (0.051e/au 3by LDA +U and 0.047e/au 3by DFT-D2+U ).The Cu–Cu bond is also shown as a strong covalent bond (0.045e/au 3by LDA +U and 0.041e/au 3by DFT-D2+U ).In addi-tion,the electron charge density using LDA,PBE and DFT-D2ap-proaches are also illustrated in Fig.3(d–f)for comparison.It is seen that the standard DFT calculations overestimate the Te–Te bond length in Cu 2Te by underestimating the Te–Te bonding strength.These results agree well with our previous analysis.

In order to further understand the properties of Cu 2Te,we stud-ied the density of states (DOS)based on the LDA +U and DFT-D2+U (U =7.5eV)approaches (given in Fig.4).According to the electrical measurements,Cu 2Te shows metallic conduction [34].While from optical studies,Cu 2Te was reported to be a semicon-ductor with an optical band gap 1.04eV [35].As seen in Fig.4

,

structure of Cu 2Te crystallized in the Nowotny’s model based on (a)LDA +U and (b)DFT-D2+U ,where the lines indicate the Cu s ,p and Te p states.(For interpretation of the references to color in this ?gure legend,Table A1

The calculated total energy,lattice parameters and Wyckoff positions for different structures in Fig.2of Cu 2Te using the PBE approach.

Total energy (eV)

Lattice parameters (?)Wyckoff position a

c Cu

Te

a à20.715 4.3228.6454h :e1323151

1000Te2313849

1000T

2e :e00131500T

e00369500Te23131511000Te132********T

b à16.569 5.0747.4124h :e132369200T

e23

13131

200T

2c :e132

30Te231

3

0T

e231369200Te1323131200T

c à18.103 5.071 5.1212e :e002371000Te00763

1000

T2d :e132312T

e23

131

2T

2c :e13230Te231

30T

d à19.697 4.1517.2082d :e132312Te23131

2T

2e :e0014Te0034T

2c :e13230Te231

30T

e à17.548 4.6169.6062e :e00123

500Te00377500T

1b :e0012T2d :e132312Te23131

2T

1a :(000)f

à19.842

4.485

9.200

2d :e132312Te23131

2T

1b :e001T2c :e13230Te231

30T

1a :(000)

Table A2

The calculated total energy,lattice parameters and Wyckoff positions for different structures in Fig.2of Cu 2Te using the DFT-D2approach.

Total energy (eV)

Lattice parameters (?)Wyckoff position a

c Cu

Te

a à22.465 4.2448.3024h :e132

31491000Te2313851

1000T2e :e0027

100Te0073

100Te2313

1491000Te132********Tb à18.108 4.9937.3334h :

e132369200Te2313131200T2c :e13230Te23130Te231

3

69200Te1323131200T

c à20.584 5.076 5.0552e :e0059

250Te00191250T2d :e132312T

e231312T

2c :e13230Te23130Td à21.766 4.1067.1162d :e132312Te231312T2e :e0014Te0034T

2c :e13230Te23130T

e à18.941 4.5219.5002e :e002471000Te00753

1000T1b :e0012T

2d :e132312Te231312T1a :(000)f

à21.717

4.591

5.950

2d :e121Te211T1b :e001T2c :

e13230Te23130T

1a :(000)

the total DOS of Cu 2Te obtained by LDA +U and DFT-D2+U show

similar characters,and there are ?nite values at the Fermi Levels,indicating the metallic conductivity of Cu 2Te.For the Nowotny’s model Cu 2Te,the Fermi Level locate at a valley of DOS,suggesting that this structure is stable [36].We also calculated the electronic structures of Cu 2Te using the Heyd–Scuseria–Ernzerhof (HSE06)hybrid functional [37,38]to double-check if the system is really metallic.It turns out that the HSE06calculations give a very similar metallic type electronic structure for Cu 2Te (data not shown).Therefore,Cu 2Te should be a metallic conductor.This metallic conductivity results from Te 5p electrons.This is clearly seen in Fig.4that the states at the Fermi level are from the Te 5p electrons.At around à5eV below the Fermi level the Te 5p electrons,Cu 3d electrons and Cu 4s electrons are strongly hybridized.These states can be divided into two parts:the Cu 3d –Cu 3d interaction above à5eV corresponding to the Cu–Cu covalent bond and the Te 5p –Cu 3d –Cu 4s interaction below à5eV corresponding to the Cu–Te bond.

Table A3

The calculated total energy,lattice parameters and Wyckoff positions for different structures in Fig.2of Cu 2Te using the LDA +U approach,where U =7.5eV.

Total energy (eV)

Lattice parameters (?)Wyckoff position a

c Cu Te

a à13.039 4.2097.5594h :e13

231591000Te2313841

1000T2e :e0029

100T

e0071

100Te2313

1591000Te132********Tb à8.527 4.9627.2174h :

e1323173500Te2313327500T2c :e132

3

0T

e23130Te231

3

173500Te1323327500T

c à10.524 4.981 4.9762e :e00119500Te00381

500T2d :e13

2312T

e231312T

2c :e120Te210Td à12.572 4.028 6.9832d :e121Te211T2e :e001Te003T

2c :e120Te210T

e à9.762 4.4809.4272e :e0049

Te00151T1b :e001T2d :e132312Te231312

T1a :e000Tf

à12.440

4.369

8.711

2d :e132312Te231312T1b :e0012T2c :

e13230Te23130T

1a :(000)

Table A4

The calculated total energy,lattice parameters and Wyckoff positions for different structures in Fig.2of Cu 2Te using the PBE +U approach,where U =7.5eV.

Total energy (eV)

Lattice parameters (?)Wyckoff position a

c Cu Te

a à8.364 4.3988.7724h :e13

2341250Te2313209

250T2e :e00129500T

e00371500T

e231341250Te1323209250T

b

à4.568

5.148

7.477

4h :e132369200Te2313131

200T2c :e132

30T

e231

30T

e231369200Te1323131200Te231369200Te1323131200T

c à5.929 5.149 5.1652e :e002371000Te00763

1000T

2d :e13231

2Te23131

2T

2c :e13230Te231

30T

d à7.464 4.1897.1862d :e132312Te23131

2T

2e :e0014Te0034T

2c :e13230Te231

30T

e à5.711 4.6679.7272e :e0061

250Te00189250T1b :e0012T

2d :e132312Te23131

2T

1a :(000)f

à7.965

4.515

9.173

2d :e132312Te23131

2T

1b :e0012T2c :e13230Te231

30T

1a :e000T

Table A5

The calculated total energy,lattice parameters and Wyckoff positions for different structures in Fig.2of Cu 2Te using the DFT-D2+U approach,where U =7.5eV.

Total energy (eV)

Lattice parameters (?)Wyckoff position a

c Cu

Te

a à9.885 4.3047.5404h :e132

3

425Te231321

25T2e :e0029

100T

e0071

100Te2313425Te13232125T

b à6.050 5.0647.3874h :e132369200Te2313131

200T2c :e132

3

0T

e23130Te231369200Te1323131200T

c à8.390 5.144 5.1002e :e002331000Te00767

1000T

2d :e13

2312T

e231312T

2c :e13230Te231

30T

d à9.507 4.1337.1092d :e132312Te23131

2T

2e :e0014Te0034T

2c :e13230Te231

30T

e à7.042 4.5579.5722e :e0031125Te0094

125T

1b :e0012T2d :e132312Te23131

2T

1a :e000Tf

à9.181

4.475

8.153

2d :e132312Te23131

2T

1b :e0012T2c :e13230Te231

30T

1a :e000T

168Y.Zhang et al./Computational Materials Science 81(2014)163–169

The electronic band structures in Fig.5give us a vivid descrip-tion of the electronic structure for Cu2Te.Similar to the charge den-sity and DOS,LDA+U and DFT-D2+U(U=7.5eV)calculations reveal similar band structure.Firstly,the band structure plotting unravels why Cu2Te shows metallic conductivity.There is a very ?at band cross the Fermi level which is occupied by the Te p states. Moreover,there are two more very light bands characterized as Cu s,p and Te p states cross the Fermi level.These bands reveal the metallic conductivity nature of Cu2Te.Hence we believe that the metallic conductivity of Cu2Te is intrinsic and is not due to the band gap problem by DFT calculations[39,40].Finally,it is inter-esting to note that the two Cu s,p and Te p bands at the K(coordi-nates)point in the Brillouin zone form a special cone which is very similar to the Dirac cone at the K and K0point in graphene and the surface states in topological insulators[41,42].Such a Dirac-like cone type band structure indicates that Cu2Te might exhibit very special electronic behaviors which need further investigations. 4.Conclusions

In summary,we have studied the possible structure of Cu2Te by ab initio random structure research.We found that the Nowotny’s model with the lowest total energy shows the highest stability. Based on DFT+U calculations,the equilibrium crystal structure and atomic positions of Cu2Te in agreement with experiments were obtained.We have also studied the electronic charge density, density of states and band structures to further understand the electronic properties of Cu2Te.The results show that both strongly localized Cu3d orbitals and van der Waals-like bonding play important roles in the chemical bonding of Cu2Te.There exists van der Waals-like type weak bonding in the adjacent Te–Te layers, while the Cu–Te and Cu–Cu bonding are mainly strong covalent in Cu2Te.Both the density of states and electronic band structures clearly show that Cu2Te is a metallic conductor.It is also worth to note that a special Dirac-like cone type band structure was ob-served in Cu2Te.Further study in deeper understanding the phys-ical original and electronic nature of this special Dirac-like cone is on-going.This work provides a comprehensive understanding of Cu2Te and should also be helpful for the understanding of Cu2Te related layered tellurides.

Acknowledgements

This work is supported by National Science Foundation for Distinguished Young Scientists of China(51225205),the National Natural Science Foundation of China(60976005,61274005)and the Outstanding Young Scientists Foundation of Fujian Province of China(2010J06018).Appendix

See Tables A1–A5.

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13、实验完毕,要关闭设备的电源、关好通风橱、整理好仪器设备,并打扫卫生。 14、配制药品或试验中能放出HCN、NO2、H2S、SO2、NH3及其它有毒和腐蚀性气体时,应在通风厨中进行,并带好必要的劳保用品。 15、实验室内应备有急救药品,消防器材和劳保用品。 16、化验室内应保持空气流通,环境清洁、安静。 17、易燃性气体不可与有助燃性的气体放到一个气瓶间,气瓶间内一定要有相应的防爆防倾设施。 18、样品的取样、接受、贮存和处置等要符合国家和公司的相关规定。 19、对实验产生的废液、废油、废物要分类存放并定期处置,禁止随意倾倒和储存。 20、实验室使用及存储的化学药剂或化学危险品都应备有相对应的化学品安全技术说明书(即MSDS),包括电子版和纸质版,并存放于实验室工作人员易于查找阅读的地方。同时实验室工作人员在使用化学药剂(特别是危险化学品)之前要对MSDS进行阅读学习,了解其危险特性及应急措施。 21、化学烧伤事故应急措施:当浓酸溅到眼睛或皮肤上时,应立即用大量清水冲洗,再用0.5%的碳酸氢钠溶液清洗;当强碱溅到眼睛或皮服上时,应迅速用大量清水冲洗再用2%的稀硼酸溶液清洗眼睛或用1%的醋酸溶液清洗皮肤。 当酸和碱滴溅到眼睛或皮肤上时,除经过上述处理外,还应马上送往医院进行救护。

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( 操作规程 ) 单位:_________________________ 姓名:_________________________ 日期:_________________________ 精品文档 / Word文档 / 文字可改 挖土安全操作规程(新版) Safety operating procedures refer to documents describing all aspects of work steps and operating procedures that comply with production safety laws and regulations.

挖土安全操作规程(新版) 1挖土前根据安全技术交底了解地下管线、人防及其他构筑物情况和具体位置。地下构筑物外露时,必须进行加固保护。作业过程中应避开管线和构筑物。在现场电力、通信电缆2m范围内和现场燃气、热力、给排水等管道1m范围内挖土时,必须在主管单位人员监护下采取人工开挖。 2开挖槽、坑、沟深度超过1.5m,必须根据土质和深度情况按安全技术交底放坡或加可靠支撑,遇边坡不稳、有坍塌危险征兆时,必须立即撤离现场。并及时报告施工负责人,采取安全可靠排险措施后,方可继续挖土。 3槽、坑、沟必须设置人员上下坡道或安全梯。严禁攀登固壁支撑上下,或直接从沟;坑边壁上挖洞攀登爬上或跳下。间歇时,不得在槽、坑坡脚下休息。

4挖土过程中遇有古墓、地下管道、电缆或其他不能辨认的异物和液体、气体时,应立即停止作业,并报告施工负责人,待查明处理后,再继续挖土。 5槽、坑、沟边1m以内不得堆土、堆料、停置机具。堆土高度不得超过1.5m。槽、坑、沟与建筑物、构筑物的距离不得小于1.5m。开挖深度超过2m时,必须在周边设两道牢固护身栏杆,并立挂密目安全网。 6人工开挖土方,两人横向间距不得小于2m,纵向间距不得小于3m。严禁掏洞挖土,搜底挖槽。 7钢钎破冻土、坚硬土时,扶钎人应站在打锤人侧面用长把夹具扶钎,打锤范围内不得有其他人停留。锤顶应平整,锤头应安装牢固。钎子应直且不得有飞刺。打锤人不得戴手套。 8从槽、坑、沟中吊运送土至地面时,绳索、滑轮、钩子、箩筐等垂直运输设备、工具应完好牢固。起吊、垂直运送时,下方不得站人。 9配合机械挖土清理槽底作业时,严禁进入铲斗回转半径范围。

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第6条广告设计、摄影、发排制版后,如乙方要求变更合同,则须付相应的设计费、摄影费、制版费以及赔偿有关损失。 第7条乙方在签订合同后,应及时付广告费。甲方将优先安排已有合同单、刊登资料和已付清广告费的客户。 第8条本合同一式两份,各方各执一份,具有同等法律效力。 第9条因本合同引起的或与本合同有关的任何争议,由合同各方协商解决,也可由有关部门调解。协商或调解不成的,按下列第种方式解决: (1)提交位于(地点)的仲裁委员会仲裁。仲裁裁决是终局的,对各方均有约束力; (2)依法向所在地有管辖权的人民法院起诉。 签约地点:市区 签约时间:年月日 甲方单位: 联系人: 电话: 传真: 开户行: 帐号: 乙方单位: 联系人: 电话:

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