First-principles calculations for transition phase and thermodynamic properties of GaAs

Chinese Physics

Volumn 15, Issue 4, 2006, Pages 802-806

  Lu, Lai Yu ^a   Chen, Xiang Rong ^a,b   Yu, Bai Ru ^a   Gou, Qing Quan ^a  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

GaAS; Thermodynamic properties; Transition phase

Indexed keywords

PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; SPECIFIC HEAT; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

GAAS; QUASI-HARMONIC DEBYE MODEL; TRANSITION PHASE;

SEMICONDUCTING GALLIUM ARSENIDE;

EID: 33645661212     PISSN: 10091963     EISSN: 17414199     Source Type: Journal    
DOI: 10.1088/1009-1963/15/4/022     Document Type: Article

References (32)

1. Froyen S and Cohen M L 1983 Phys. Rev. B 28 3258
2. Weir S T, Vohra Y K, Vanderborgh C A and Ruoff A L 1989 Phys. Rev. B 39 1280
3. Besson J M, Itie J P, Weill G, Mansot J L and Gonzalez J 1991 Phys. Rev. B 44 4214
4. Durandurdu M and Drabold D A 2002 Phys. Rev. B 66 045209
5. McMahon M I and Nelmes R J 1996 Phys. Stat. Sol. (b) 198 389
6. Nelmes R J, McMahon M I, Wright N G and Allan D R 1994 Phys. Rev. Lett. 73 1805
7. Nelmes R J and McMahon M I 1995 Phys. Rev. Lett. 74 106
8. Mujica A and Needs R J 1996 J. Phys.: Condens. Matter 8 L237
9. McMahon M I and Nelmes R J 1997 Phys. Rev. Lett. 78 3697
10. Payne M C, Teter M P, Allen D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
11. Milman V, Winkler B, White J A, Packard C J, Payne M C, Akhmatskaya E V and Nobes R H 2000 Int. J. Quantum Chem. 77 895
12. Blanco M A, Francisco E and Luana V 2004 Comput. Phys. Commun. 158 57
13. Vanderbilt D 1990 Phys. Rev. B 41 7892
14. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
15. Blanco M A, Martín Pendás A, Francisco E, Recio J M and Franco R 1996 J. Mol. Struct. (Theochem) 368 245
16. Flórez M, Recio J M, Francisco E, Blanco M A and Pendás A M 2002 Phys. Rev. B 66 144112
17. Poiier J P 1991 Introduction to the Physics of the Earth's Interior (Cambridge, UK: Cambridge University Press)
18. Francisco E, Recio J M, Blanco M A and Martín Pendás A 1998 J. Phys. Chem. A 102 1595
19. Francisco E, Blanco M A and Sanjurjo G 2001 Phys. Rev. B 63 094107
20. Lu L Y, Chen X R, Cheng Y and Zhao J Z 2005 Solid State Commun. 136 152
21. Poirier J P and Tarantola A 1998 Phys. Earth Planet Int. 109 1
22. Mujica A and Needs R J 1998 Phys. Rev. B 57 1344
23. Albe K, Nordlund K, Nord J and Kuronen A 2002 Phys. Rev. B 66 035205
24. Donohue J 1974 The Structure of the elements (New York: Wiley)
25. Smith R 1992 Nucl. Instrum. Methods Phys. Res. B 67 335
26. Sayed M, Jefferson J H and Walker A B 1995 Nucl. Instrum. Methods Phys. Res. B 102 232
27. Mujica A, Needs R J and Munoz A 1995 Phys. Rev. B 52 8881
28. Lemire G W, Bishea G A, Heidecke S A and Morse M D 1990 J. Chem. Phys. 92 121
29. Dunslan D 1996 Properties of GaAs edited by Brozel M and Stillmann G (London: Inspec)
30. Moon W H and Hwang H J 2003 Phys. Lett. A 315 319
31. Garcia A and Cohen M L 1993 Phys. Rev. B 47 6751
32. Zhang S B and Cohen M L 1989 Phys. Rev. B 39 1450