First-principles study of phase transition and thermodynamic properties of InP

Physica B: Condensed Matter

Volumn 405, Issue 21, 2010, Pages 4536-4540

  Zhang, Wenju ^a   Wu, Weidong ^b   Cheng, Xinlu ^a  

^a SICHUAN UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

InP; Phase transition; Thermodynamic properties

Indexed keywords

BIRCH-MURNAGHAN EQUATION OF STATE; CALCULATED VALUES; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; HEAT CAPACITIES; INP; PLANE WAVE; ROCKSALT; STRUCTURAL PHASE TRANSITION; THEORETICAL CALCULATIONS; THIRD-ORDER; TRANSITION PRESSURE; ZINC-BLENDE;

DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; EQUATIONS OF STATE; INDIUM PHOSPHIDE; ISOMERS; THERMODYNAMICS; ZINC;

PHASE TRANSITIONS;

EID: 77957140616     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.08.033     Document Type: Article

References (42)

1. J.G. Daz, Garnett.W. Bryant, W. Jasklski, and M. Zieliski Phys. Rev. B 75 2007 245433
2. J. Carrete, R.C. Longo, L.M. Varela, J.P. Rino, and L.J. Gallego Phys. Rev. B 80 2009 155408
3. T.J. Coutts, and S. Naseem Appl. Phys. Lett. 46 1985 164
4. M. Yamaguchi, C. Uemura, and A. Yamamoto J. Appl. Phys. 55 1984 1429
5. L. Lin, G.T. Woods, and T.A. Callcott Phys. Rev. B 63 2001 235107
6. K.P. Pande, and C.C. Shen J. Appl. Phys. 53 1982 749
7. O. Oda, H. Yamamoto, M. Seiwa, G. Kano, M. Mori, H. Shimakura, and M. Oyake Semicond. Sci. Technol. 7 1992 A215
8. S. Minomura, and H.G. Drickamer J. Phys. Chem. Solids 23 1962 451
9. J.C. Jamieson Science 139 1963 845
10. T. Soma, J. Satoh, and H. Matsuo Solid State Commun. 42 1982 889
11. C.S. Menoni, and I.L. Spain Phys. Rev. B 35 1987 7520
12. J.P. Rino, P.S. Branicio, Structural phase transformations in InP under pressure: a molecular-dynamics study, in: Proceedings of the 12th International Conference on High Pressure Semiconductor Physics (HPSP-12), Barcelona, Spain, July 31August 03, 2006.
13. R.K. Singh, and S. Singh Phys. Rev. B 39 1989 671
14. P.S. Branicio, J.P. Rin, and F. Shimojo Appl. Phys. Lett. 88 2006 161919
15. T. Soma, and H.M. Kasaya Solid State Commun. 50 1984 261
16. A. Zaoui, M. Certier, M. Ferhat, and B. Khelifa Solid State Commun. 99 1996 659
17. O. Arbouche, B. Belgoumne, B. Soudinia, Y. Azzaz, H. Bendaoud, and K. Amara Comput. Mater. Sci. 47 2010 685
18. R. Trommer, H. Mller, M. Cardona, and P. Vogl Phys. Rev. B 21 1980 4869
19. R. Zallen, and W. Paul Handbook on Semiconductors 1 1982
20. A. Mujica, A. Rubio, A. Muoz, and R.J. Needs Rev. Mod. Phys. 75 2003 863
21. W. Kohn, and L.J. Sham Phys. Rev. A 140 1965 1133
22. P. Hohenberg, and W. Kohn Phys. Rev. B 136 1964 864
23. G. Grimvall Thermophysical Properties of Materials 1999 Elsevier Amsterdam
24. D. Vanderbilt Phys. Rev. B 41 1990 7892
25. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
26. M.A. Blanco, E. Francisco, and V. Luaa Comput. Phys. Commun. 158 2004 57
27. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
28. M.C. Payne, M.P. Teter, D.C. Allen, T.A. Arias, and J.D. Joannopoulos Rev. Mod. Phys. 64 1992 1045
29. 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
30. F. Birch Phys. Rev 71 1947 809
31. A. Bouhemadou, R. Khenata, M. Kharoubi, T. Seddik, A.H. Reshak, and Y.A. Douri Comput. Mater. Sci. 45 2009 474
32. J.Q. Wang, Z.Q. Gu, M.F. Li, and W.Y. Lai Phys. Rev. B 46 1992 12358
33. L. Brstein Semiconductors: Physics of Group IV Elements and IIIV compounds 3 1992
34. M.J. Herrera Cabrera, P. Rodrguez hernndez, and A. Muoz Phys. Status Solidi B 223 2001 411
35. D.N. Nichols, D.S. Rimai, and R.J. Sladek Solid State Commun. 36 1980 667
36. M.L. Cohen Phys. Rev. B 32 1985 7988
37. M.A. Blanco, A.M. Pends, E. Francisco, J.M. Recio, and R. Franco J. Mol. Struct. THEOCHEM 368 1996 245
38. M. Florez, J.M. Recio, E. Francisco, M.A. Blanco, and A.Martn Pends Phys. Rev. B 66 2002 144112
39. E. Francisco, J.M. Recio, M.A. Blanco, A.M. Pends, and A. Costales J. Phys. Chem. A 102 1998 1595
40. E. Francisco, M.A. Blanco, and G. Sanjurjo Phys. Rev. B 63 2001 094107
41. J.P. Poirer Introduction to the Physics of the Earth's Interior 1991 Cambridge University Press England
42. A.R. Oganov, and P.I. Dorogokupets Phys. Rev. B 67 2003 224110