First-principles study on structural properties and phase stability of III-phosphide (BP, GaP, AlP and InP)

Computational Materials Science

Volumn 47, Issue 3, 2010, Pages 685-692

  Arbouche, O ^a   Belgoumene B ^b   Soudini, B ^a   Azzaz, Y ^a   Bendaoud, H ^a   Amara, K ^b  

^a UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^b UNIVERSITY OF SAIDA   (Algeria)

Author keywords

Bulk modulus; FP LAPW+lo; GGA; III Phosphide (BP, GaP, AlP, InP); Lattice parameter; Phase transition; Pressure

Indexed keywords

ALUMINUM COMPOUNDS; CALCULATIONS; CESIUM COMPOUNDS; ELASTIC MODULI; GALLIUM PHOSPHIDE; GROUND STATE; INDIUM PHOSPHIDE; LATTICE CONSTANTS; PHASE STABILITY; PHASE TRANSITIONS; PRESSURE; SEMICONDUCTING INDIUM PHOSPHIDE; SODIUM CHLORIDE; ZINC SULFIDE;

AUGMENTED PLANE WAVES; EXCHANGE AND CORRELATION; FIRST PRINCIPLES TOTAL ENERGY CALCULATIONS; FIRST-PRINCIPLES STUDY; FP-LAPW+LO; GENERALIZED GRADIENT APPROXIMATIONS; GROUND STATE PROPERTIES; STRUCTURAL PHASE STABILITY;

III-V SEMICONDUCTORS;

EID: 72149084951     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.10.009     Document Type: Article

References (41)

1. Mujica A., Rubio A., Muñoz A., and Needs R.J. Rev. Modern Phys. 75 (2003) 868
2. Wentzcovitch R.M., and Cohen M.L. J. Phys. C Solid State Phys. 19 (1986) 6791
3. Schroten E., Geossens A., and Schoonman J. J. Appl. Phys. 83 3 (1998) 1660
4. Soderstrom J.R., Chow D.H., and McGill T.C. Appl. Phys. Lett. 55 (1989) 1094
5. Xia H., Xia Q., and Ruoff A.L. J. Appl. Phys. 74 (1993) 1660
6. Wentzcovitch R.M., Cohen M.L., and Lam P.K. Phys. Rev. B 36 (1987) 6058
7. Van Camp P.E., Van Doren V.E., and Devreese J.T. Phys. Rev. B 44 (1991) 9056
8. Kocinski P., et al. Semicond. Sci. Technol. 10 (1995) 1452-1457
9. Nelmes R.J., McMahon M.I., and Belmonte S.A. Phys. Rev. Lett. 79 (1997) 3668
10. Garcia A., and Cohen M.L. Phys. Rev. B. 47 (1993) 6751
11. Mujica A., and Needs R.J. Phys. Rev. B 55 (1997) 9659-9670
12. Itie J.P., San Miguel A., and Polian A. J. Jpn. Appl. Phys. Part 1 32 (1993) 711
13. Greene R.G., Luo H., and Ruoff A.L. J. Appl. Phys. 76 (1994) 7296
14. Zhang S.B., and Cohen M.L. Phys. Rev. B. 39 (1989) 1450
15. Vancamp P.E., and Vandoren V.E. Solid State Commun. 95 (1995) 173
16. Mujica A., Rodriguez Hernandez P., Radescu S., Needs R.J., and Munoz A. Phys. Status Solidi B 39 (1999) 211
17. Minomura S., and Drickamer H.G. J. Phys. Chem. Solids 23 (1962) 451
18. Menoni C.S. IL Spain Phys. Rev. B 35 (1987) 7520
19. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2K, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties, Vienna University of Technology, Vienna, 2001.
20. Sjostedt E., Nordstrom L., and Singh D.J. Solid State Commun. 114 (2000) 15
21. Kohn W., and Sham L.J. Phys. Rev. B 140 (1965) 1133
22. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
23. Wyckoff R.W.G. Crystal Structures. second ed. (1986), Krieger, Malabar
24. Madelung O. Semiconductors: Data Handbook (2004), Springer, Berlin
25. Ahmed R., Fazal-e-Aleem, Javad Hashemifar S., and Akbarzadeh H. Physica B 403 (2008) 1876-1881
26. Bouhafs B., Aourag H., and Cartier M. J. Phys. Condens. Matter 12 (2000) 5655
27. Causa M., Dovesi R., and Roetti C. Phys. Rev. B 43 (1991) 11937
28. Landolt-BÖrnstein M.O. Semiconductors. Physics of Group IV Elements and III-V Compounds New Series vol. 17 (1982), Springer-Verlag, Berlin
29. Bouhemadou A., Khenata R., Kharoubi M., Seddik T., Reshak A.H., and Al-Douri Y. Comput. Mater. Sci. 45 2 (2009) 474-479
30. Meradji H., Drablia S., Ghemid S., Belkhir H., Bouhafs B., and Tadjer A. Phys. Status Solidi B (2004) 1-5
31. Zaoui A., and El Haj Hassan F. J. Phys. Condens. Matter 13 (2001) 253
32. Wentzcovitch R.M., Chang K.J., and Cohen M.L. Phys. Rev. B 34 (1986) 1071
33. Murnaghan F.D. Proc. Natl. Acad. Sci. USA 30 (1944) 5390
34. Jamieson J.C. Science 139 (1963) 762
35. M.I. McMahon, R.J. Nelmes, N.G. Wright, D.R. Allan, in: Proceedings of the Joint Conference of the AIRAPT/APS on High-Pressure Science and Technology, 1993.
36. Bouhafs B., Aourag H., Ferhat M., and Certier M. J. Phys. Condens. Matter 11 (1999) 5781
37. Zhang S.B., and Cohen M.L. Phys. Rev. B 35 (1987) 7604
38. Joshi D.V., Kaurav N., and Singh R.K. J. Phys. Chem. Solids 70 (2009) 451-458
39. Lin L., Woods G.T., and Callcott T.A. Phys. Rev. B 63 (2001) 235107
40. Remediakis I.N., and Kaxiras E. Phys. Rev. B 59 (1999) 5536
41. Baroni S., de Gironcoli S., Dal Corso A., and Giannozzi P. Rev. Modern Phys. 73 (2001) 515