First-principles study of structural and thermodynamic properties of osmium

Physica B: Condensed Matter

Volumn 406, Issue 15-16, 2011, Pages 3065-3069

  Liu, Ke ^a,b   He, Duan Wei ^a   Zhou, Xiao Lin ^b   Chen, Hai Hua ^a  

^a SICHUAN UNIVERSITY   (China)

^b SICHUAN NORMAL UNIVERSITY   (China)

Author keywords

Debye temperature; Expansion coefficients; Osmium; Thermodynamic property

Indexed keywords

DENSITY FUNCTIONAL THEORY METHODS; DIAMOND-ANVIL CELL; EXPANSION COEFFICIENTS; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; HCP STRUCTURE; HEAT CAPACITIES; LATTICE PARAMETERS; LATTICE STRAIN; PLANE WAVE; PSEUDOPOTENTIALS; QUASI-HARMONIC DEBYE MODEL;

DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; LATTICE CONSTANTS; OSMIUM; THERMAL EXPANSION; THERMODYNAMICS; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS;

TEMPERATURE;

EID: 79958017311     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.05.008     Document Type: Article

References (33)

1. Properties of Precious Metals, Properties and Selection: NonFerrous Alloys and Special-Purpose Materials, ASM Handbook, vol. 2, ASM International, New York, 1990, p. 688.
2. M. Hebbache, and M. Zemzemi Phys. Rev. B 70 2004 224107
3. M.M. Armentrout, and A. Kavner J. Appl. Phys. 107 2010 093528
4. F. Peng, D. Chen, H.Z. Fu, and X.D. Yang Phil. Mag. Lett. 91 2011 43
5. B. Minisini, J. Roetting, and F. Tsobnang Comput. Mater. Sci. 43 2008 812
6. H. Cynn, J.E. Klepeis, C.S. Yoo, and D.A. Young Phys. Rev. Lett. 88 2002 135701
7. K. Takemura Phys. Rev. B 70 2004 012101
8. F. Occelli, D.L. Farber, J. Badro, C.M. Aracne, D.M. Teter, M. Hanfland, B. Canny, and Bernard Couzinet Phys. Rev. Lett. 93 2004 095502
9. L. Fast, J.M. Wills, B. Johansson, and O. Eriksson Phys. Rev. B 51 1995 17431
10. M.D. Segall, P.L.D. Linda, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne J. Phys.: Condens. Matter 14 2002 2717
11. D. Vanderbilt Phys. Rev. B 41 1990 7892
12. D.M. Ceperley, and B.J. Alder Phys. Rev. Lett. 45 1980 566
13. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
14. J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
15. M.A. Blanco, E. Francisco, and V. Luana Comp. Phys. Commun. 158 2004 57
16. H.Z. Guo, X.R. Chen, J. Zhu, L.C. Cai, and J. Gao Chin. Phys. Lett 22 2005 1764
17. X.R. Chen, H.Z. Guo, L.C. Cai, and J. Gao Chin. Phys. Lett. 22 2005 1504
18. H.Z. Guo, X.R. Chen, L.C. Cai, J. Zhu, and J. Gao Solid State Commun. 134 2005 787
19. Y.J. Hao, Y. Cheng, Y.J. Wang, and X.R. Chen Chin. Phys. 16 2007 1
20. L.Y. Lu, X.R. Chen, B.R. Yu, and Q.Q. Gou Chin. Phys. 15 2006 802
21. M.A. Blanco, A. Martín Pendás, E. Francisco, J.M. Recio, and R. Franco J. Molec. Struct. (Theochem.) 368 1996 245
22. M. Flórez, J.M. Recio, E. Francisco, M.A. Blanco, and A. Martín Pendás Phys. Rev. B 66 2002 144112
23. E. Francisco, and M.A. Sanjurjo Phys. Rev. B 63 2001 094107
24. T.S. Duffy, G.Y. Shen, J.F. Shu, H.K. Mao, R.J. Hemley, and A.K. Singh J. Appl. Phys. 86 1999 6729
25. A.K. Singh, H.K. Mao, J. Shu, and R.J. Hemley Phys. Rev. Lett. 80 1998 2157
26. K. Singh, C. Balasingh, H.K. Mao, R.J. Hemley, and J. Shu J. Appl. Phys. 83 1998 7567
27. H.H. Chen, D.W. He, J. Liu, Y.C. Li, F. Peng, Z. Li, J.H. Wang, and L.G. Bai Eur. Phys. J. B, Condens. Matter Complex Syst. 73 2010 321
28. R. Yu, and X.F. Zhang Appl. Phys. Lett. 86 2005 121913
29. C. Stampfl, W. Mannstadt, R. Asahi, and A.J. Freeman Phys. Rev. B 63 2001 155106
30. B.R. Sahu, and L. Kleinman Phys. Rev. B 72 2005 113106
31. X.H. Deng, W. Lu, Y.M. Hu, and H.S. Gu Physica B 404 2009 1218
32. P. Vinet, J. Ferrante, J.H. Rose, and J.R. Smith J. Geophys. Res. 92 1987 9319
33. J.P. Poirier, and A. Tarantola Phys. Earth Planet Int. 109 1998 1