| CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES |
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High-pressure phonon dispersion of copper by using the modified analytic embedded atom method |
| Zhang Xiao-Jun (张晓军)a b, Chen Chang-Le (陈长乐)a, Feng Fei-Long (凤飞龙)b |
a Shaanxi Key Laboratory of Condensed Matter Structures and Properties and Key Laboratory of Space Applied Physics and Chemistry, Ministry of Education, Northwestern Polytechnical University, Xi’an 710072, China;
b School of Science, Xi’an Polytechnic University, Xi’an 710048, China |
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Abstract By using the Born-von Kármán theory of lattice dynamics and the modified analytic embedded atom method, we reproduce the experimental results of the phonon dispersion in fcc metal Cu at zero pressure along three high symmetry directions and four off-symmetry directions, and then simulate the phonon dispersion curves of Cu at high pressures of 50, 100, and 150 GPa. The results show that the shapes of dispersion curves at high pressures are very similar to that at zero pressure. All the vibration frequencies of Cu in all vibration branches at high pressures are larger than the results at zero pressure, and increase correspondingly as pressure reaches 50, 100, and 150 GPa sequentially. Moreover, on the basis of phonon dispersion, we calculate the values of specific heat of Cu at different pressures. The prediction of thermodynamic quantities lays a significant foundation for guiding and judging experiments of thermodynamic properties of solids under high pressures.
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Received: 21 December 2012
Revised: 21 April 2013
Accepted manuscript online:
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PACS:
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63.20.D-
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(Phonon states and bands, normal modes, and phonon dispersion)
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62.50.-p
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(High-pressure effects in solids and liquids)
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71.15.Pd
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(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
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12.39.Pn
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(Potential models)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 61078057 and 11204227) and the Scientific Research Program of Education Department of Shaanxi Province, China (Grant No. 12JK0958). |
Corresponding Authors:
Chen Chang-Le
E-mail: chenchl@nwpu.edu.cn
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Cite this article:
Zhang Xiao-Jun (张晓军), Chen Chang-Le (陈长乐), Feng Fei-Long (凤飞龙) High-pressure phonon dispersion of copper by using the modified analytic embedded atom method 2013 Chin. Phys. B 22 096301
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| [1] |
Wang Y, Hector L G and Zhang H 2008 Phys. Rev. B 78 104113
|
| [2] |
Wang J F, Chen W Z and Jiang Z Y 2012 Chin. Phys. B 21 077102
|
| [3] |
Yang Y H, Dong S L and Wang L 2008 Chin. Phys. B 17 270
|
| [4] |
Shi L W, Duan Y F, Yang X Q and Tang G 2012 Chin. Phys. Lett. 28 100503
|
| [5] |
Ozisik H B, Colakoglu K and Deligoz E 2012 Comput. Mater. Sci. 51 83
|
| [6] |
Mittal R, Chaplot S L, Bose P P and Choudhury N 2007 J. Phys.: Condens. Ser. 92 012143
|
| [7] |
Sha X W and Cohen R E 2006 Phys. Rev. B 73 104303
|
| [8] |
Wortmanna G, Ponkratza U, Bielemeiera B and Rupprechtc K 2008 High Press. Res. 28 545
|
| [9] |
Wagner J M and Bechstedt F 2000 Phys. Rev. B 62 4526
|
| [10] |
Mujica A, Rubio A, Munoz A and Needs R J 2003 Rev. Mod. Phys. 75 863
|
| [11] |
Fang H, Liu B and Gua M 2010 Physica B 405 732
|
| [12] |
Hu C E, Zeng Z Y and Zhang L 2010 J. Appl. Phys. 107 093509
|
| [13] |
Dow M S and Baskes M I 1983 Phys. Rev. Lett. 50 1285
|
| [14] |
Dow M S and Baskes M I 1984 Phys. Rev. B 29 6443
|
| [15] |
Ouyang Y F, Zhang B W, Liao S Z and Jin Z P 1996 Z. Phys. B 101 161
|
| [16] |
Zhang B W, Ouyang Y F, Liao S Z and Jin Z P 1999 Phys. B 262 218
|
| [17] |
Xin H, Zhang J M, Wei X M and Xu K W 2005 Surf. Interface Anal. 37 608
|
| [18] |
Zhang J M, Wei X M and Xin H 2005 Appl. Sur. Sci. 243 1
|
| [19] |
Wen Y N and Zhang J M 2007 Solid State Commun. 144 163
|
| [20] |
Hu W Y, Shu X L and Zhang B W 2002 Comput. Mater. Sci. 23 175
|
| [21] |
Zhang J M, Song X L and Zhang X J 2006 Surf. Sci. 600 1277
|
| [22] |
Kazanc S, Ozgen S and Adiguzel O 2003 Physica B 334 375
|
| [23] |
Gurler Y and Ozgen S 2003 Mater Lett. 57 4336
|
| [24] |
Rose J H, Smith J R, Guinea F and Ferrante J 1984 Phys. Rev. B 29 2963
|
| [25] |
Vinet P, Rose J H, Ferrante J and Smith J R 1989 J. Phys.: Condens. Matter 1 1941
|
| [26] |
Dewaele A, Loubeyre P and Mezouar M 2004 Phys. Rev. B 70 094112
|
| [27] |
Zhang X J and Chen C L 2012 J. Low Temp. Phys. 169 40
|
| [28] |
Svensson E C, Vrockhouse B M and Rowe J M 1967 Phys. Rev. 155 619
|
| [29] |
Xie J J and Chen S P 2000 Phys. Rev. B 62 3624
|
| [30] |
Monkhorst H J 1976 Phys. Rev. B 13 5188
|
| [31] |
Chen H H, Li Z and Cheng Y 2011 Physica B 406 3338
|
| [32] |
Zhang D and Sun J X 2012 Chin. Phys. B 21 080508
|
| [33] |
Hultgern R, Orr R L and Anderson P D 1963 Selected Values of Thermodynamic Properties of Metals and Alloys (New York: Wiley)
|
| [34] |
Zeng Z Y, Hu C E and Cai L C 2010 J. Phys. Chem. B 114 298
|
| [35] |
Umehara I, Hedo M and Tomioka F 2007 J. Phys. Soc. Jpn. 76 206
|
| [36] |
Aquino N 2009 Rev. Mex. Fis. 55 125
|
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