First principles studies of elastic and thermodynamic properties of fcc-VH2 with pressure and temperature

Physica B: Condensed Matter

Volumn 406, Issue 4, 2011, Pages 737-741

  Zhijiao, Zhang ^a   Feng, Wang ^b   Zhou, Zheng ^c   Jianjun, Wang ^a   Xinyou, An ^a   Guo, Liao ^a   Weiyi, Ren ^a  

^a CHINA WEST NORMAL UNIVERSITY   (China)

^b CHONGQING JIAOTONG UNIVERSITY   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Elastic constants; First principle; Quasi harmonic Debye model; Thermodynamic properties; VH2

Indexed keywords

BULK MODULUS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; HIGH PRESSURE; HIGH TEMPERATURE AND HIGH PRESSURE; HIGHER TEMPERATURES; LOW PRESSURES; LOW TEMPERATURES; PRESSURE AND TEMPERATURE; QUASI-HARMONIC DEBYE MODEL; TEMPERATURE INCREASE; THERMAL EXPANSION COEFFICIENTS; VH2; VOLUME EXPANSION;

DEBYE TEMPERATURE; ELASTIC CONSTANTS; PHONONS; THERMAL EXPANSION; THERMAL STRESS; THERMODYNAMICS;

TEMPERATURE;

EID: 78751644396     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.11.040     Document Type: Article

References (30)

1. J. Yang, A. Sudik, C. Wolverton, and D.J. Siegel. Chem. Soc. Rev 39 2 2010 656
2. G.J. Lewis, J.W.A. Sachtler, J.J. Low, D.A. Lesch, S.A. Faheem, P.M. Dosek, L.M. Knight, L. Halloran, C.M. Jensen, Jun Yang, Andrea Sudik, Donald J. Siegel, Christopher Wolverton, Vidvuds Ozolins, and Shu Zhang J. Alloys compd. 446-447 2007 355
3. C. Faure, P. Bach, H. Bernardet, S. Clureau, G. Germain, C. Lacomette, and C. Saubignac Le Vide Couches Minces 37 212 1982 207
4. C. Wolverton, D.J. Siegel, and A.R. Akbarzadeh J. Phys.: Condens. Matter 20 2008 064228
5. M.C. Payne, M.P. Teter, D.C. Allen, T.A. Arias, and J.D. Joannopoulos Rev. Mod. Phys 64 1992 1045
6. V. Milman, B. Winkler, J.A. White, C.J. Packard, M.C. Payne, E.V. Akhmatskaya, and R.H. Nobes Int. J. Quantum Chem. 77 2000 895
7. M.A. Blanco, E. Francisco, and V. Luaa Comput. Phys. Commun. 158 2004 57
8. V. Milman, B. Winkler, J.A. White, C.J. Packard, M.C. Payne, E.V. Akhmatskaya, and R.H. Nobes Int. J. Quantum Chem. 77 2000 895
9. D. Vanderbilt Phys. Rev. B 41 1990 7892
10. G. Kresse, and J. Hafner J. Phys.: Condens. Matter 6 1994 8245
11. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
12. J.P. Poirier Introduction to the Physics of the Earths Interior 39 2000 Cambridge University Press Oxford
13. L. Fast, J.M. Wills, B. Johansson, and O. Eriksson Phys. Rev. B 51 1995 17431
14. G.V. Sinko, and N.A. Smirnow J. Phys.: Condens. Matter 14 2002 6989
15. A.A. Maradudin, E.W. Montroll, G.H. Weiss, and I.P. Ipatova Theory of Lattice Dynamics in the Harmonic Approximation 1971 Academic Press
16. M.A. Blanco, PhD Thesis, Universidad de Oviedo, 1997, URL 〈 http://web.uniovi.es/qcg/mab/tesis.html 〉.
17. M.A. Blanco, A. Martn Pends, E. Francisco, J.M. Recio, and R. Franco J. Mol. Struct. Theochem. 368 1996 245
18. E. Francisco, J.M. Recio, M.A. Blanco, and A.Martn Pends J. Phys. Chem. 102 1998 1595
19. E. Francisco, M.A. Blanco, and G. Sanjurjo Phys. Rev. B 63 2001 094107
20. M. Flrez, J.M. Recio, E. Francisco, M.A. Blanco, and A.Martn Pends Phys. Rev. B 66 2002 144112
21. R. Hill Proc. Phys. Soc. London A 65 1952 349
22. F.D. Murnaghan Proc. Natl. Acad. Sci. USA 30 1944 5390
23. R. Yang, and Y.M. Wang At. Energy Sci..Technol. 36 45 2002 418
24. S.M. Peng, and Z.H.A.O. Peng-ji At. Energy Sci. Technol. 3 5 2000 469
25. R. Li. Acta Phys.Chim. Sin. 21 7 2005 716 720
26. H. Kojima, T. Sanada, and S. Koike. J. Appl. Phys 80 8 1996 4337
27. A. Magerl, B. Berre, and G. Alefeld Phys. Status Solidi A 36 1976 161
28. C. Kittel Introduction to Solid State Physics 8th edition 2004-12-07 John Wiley and Sons (WIE), USA
29. P. Debye Ann. Phys 39 1912 789
30. A.T. Petit, and P.L. Dulong Ann. Chim. Phys. 10 1819 395