First-principles investigation of BNxP1-x, BN xAs1-x and BPxAs1-x ternary alloys

Materials Science and Engineering: B

Volumn 121, Issue 1-2, 2005, Pages 170-177

  El Haj Hassan, F ^a   Akbarzadeh, H ^b  

^a LEBANESE UNIVERSITY   (Lebanon)

^b ISFAHAN UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Band structures calculations; Boron alloys; Bowing gap; DFT; FP LAPW

Indexed keywords

BAND STRUCTURE; CHARGE TRANSFER; DEFORMATION; ENTHALPY; LATTICE CONSTANTS; PHASE DIAGRAMS; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; SEMICONDUCTOR MATERIALS; THERMODYNAMIC STABILITY;

BAND STRUCTURE CALCULATIONS; BORON ALLOYS; BOWING GAP; FIRST PRINCIPLES; FP-LAPW;

BORON COMPOUNDS;

EID: 19144364700     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2005.03.019     Document Type: Article

References (43)

1. C. Jain, J.R. Willis, and R. Bullogh Adv. Phys. 39 1990 127
2. H. Bross, and R. Bader Phys. Stat. Sol. (b) 191 1995 369
3. W. Sekkal, B. Bouhafs, H. Aourag, and M. Certier J. Phys.: Condens. Matter 10 1998 4975
4. A. Zaoui, and F. El Haj Hassan J. Phys.: Condens. Matter 13 2001 253
5. F. El Haj Hassan, H. Akbarzadeh, and M. Zoater J. Phys.: Condens. Matter 16 2004 293
6. J.C. Phillips Rev. Mod. Phys. 42 1970 317
7. R.M. Chrenko Solid State Commun. 14 1974 511
8. V.A. Fomichev, and M.A. Rumsh J. Chem. Phys. 48 1968 555
9. V.A. Fomichev, and M.A. Rumsh J. Phys. Chem. Solids 29 1968 1015
10. C.C. Wang, M. Cardona, and A.G. Fischer RCA Rev. 25 1964 159
11. W. Wettling, and J. Windscheif Solid State Commun. 50 1984 33
12. E. Knittle, R.M. Wentzcovitch, R. Jeanloz, and M.L. Cohen Nature 337 1989 349
13. Landolt-Börnstein, New Series, vol. 17, Pt. a 1982 Springer-Verlag Berlin
14. Landolt-Börnstein, New Series, vol. 3, Madelung edition 1972 Springer Berlin
15. H. Bross, and R. Bader Phys. Stat. Sol. b 191 1995 369
16. R. Wentzcovitch, M.L. Cohen, and P.K. Lam Phys. Rev. B 36 1987 6058
17. R. Wentzcovitch, K.J. Chang, and M.L. Cohen Phys. Rev. B 34 1986 1071
18. R. Wentzcovitch, and M.L. Cohen J. Phys. C: Solid State Phys. 19 1986 6791
19. M.P. Surh, S.G. Louie, and M.L. Cohen Phys. Rev. B 43 1991 9126
20. P.R. Hernández, M.G. Diaz, and A. Muňoz Phys. Rev. B 51 1995 14705
21. M. Ferhat, A. Zaoui, M. Certier, and H. Aourag Physica B 252 1998 229
22. G.P. Srivastava, G.L. Martins, and A. Zunger Phys. Rev. B 31 1985 2561
23. J.E. Bernard, and A. Zunger Phys. Rev. B 34 1986 5992
24. A. Zunger, S.-H. Wei, L.G. Ferreira, and J.E. Bernard Phys. Rev. Lett. 65 1990 353
25. S.-H. Wei, L.G. Ferreira, J.E. Bernard, and A. Zunger Phys. Rev. B 42 1990 9622
26. D.D. Koelling, and B.N. Harmon J. Phys. C: Sol. Stat. Phys. 10 1977 3107
27. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. luitz, WIEN2K, An Augmented Plane Wave + Local orbitals program for calculating crystal properties, Karlheinz Schwarz, Techn. Universitat, Wien, Austria, 2001. ISBN 3-9501031-1-2.
28. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864
29. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
30. J.P. Perdew, S. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
31. E. Engel, and S.H. Vosko Phys. Rev. B 47 1993 13164
32. F.D. Murnaghan Proc. Natl. Acad. Sci. U.S.A. 30 1944 244
33. A. Mokhtari, and H. Akbarzadeh Physica B 324 2002 305
34. L. Vegard Z. Phys. 5 1921 17
35. J. Jobst, D. Hommel, U. Lunz, T. Gerhard, and G. Landwehr Appl. Phys. Lett. 69 1996 97
36. F. El Haj Hassan Phys. Stat. Sol. (b) 242 2005 909
37. J.L. Martins, and A. Zunger Phys. Rev. Lett. 56 1986 1400
38. P. Dufek, P. Blaha, and K. Schwarz Phys. Rev. B 50 1994 7279
39. F. El Haj Hassan, H. Akbarzadeh, S.J. Hashemifar, and A. Mokhtari J. Phys. Chem. Solids 65 2004 1871
40. F. El Haj Hassan, H. Akbarzadeh, and S.J. Hashemifar J. Phys.: Condens. Matter 16 2004 3329
41. R.A. Swalin Thermodynamics of Solids 1961 Wiley New York
42. L.G. Ferreira, S.-H. Wei, J.E. Bernard, and A. Zunger Phys. Rev. B 40 1999 3197
43. L.K. Teles, J. Furthmüller, L.M.R. Scolfaro, J.R. Leite, and F. Bechstedt Phys. Rev. B 62 2000 2475