First-principles study of rock-salt AgClxBr1-x alloys

Physica B: Condensed Matter

Volumn 396, Issue 1-2, 2007, Pages 192-198

  Amrani, B ^a   El Haj Hassan, F ^b   Zoaeter, M ^b  

^a UNIVERSITÉ DE MASCARA   (Algeria)

^b LEBANESE UNIVERSITY   (Lebanon)

Author keywords

Alloy AgClxBr1 x; Bowing gap; FP LAPW

Indexed keywords

APPROXIMATION THEORY; CHARGE TRANSFER; ELECTRONIC PROPERTIES; ENERGY GAP; LATTICE CONSTANTS; OPTIMIZATION; THERMODYNAMIC PROPERTIES;

BOND IONICITY; BOWING GAP; COHESIVE ENERGY; EXCHANGE CORRELATION ENERGY;

SILVER ALLOYS;

EID: 34249716283     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2007.04.004     Document Type: Article

References (41)

1. J. Kapecki, J. Roders, in: M. Howe-Grant (Ed.), Kirk-Othmer Encyclopedia of Chemica Technology, fourth ed., vol. 6, Wiley, New York, 1993.
2. Ebbsjö I., Vashishta P., Dejus R., and Sköld K. J. Phys. C 20 (1987) L441
3. Enderby J.E., and Barnes A.C. Rep. Prog. Phys. 53 (1990) 85
4. Smith P.V. J. Phys. Chem. Solids 37 (1976) 581
5. Nunes G.S., and Allen P.B. Phys. Rev. 57 (1997) 5098
6. Gupta D.C., and Singh R.K. Phys. Rev. 43 (1990) 11185
7. de Boer P.K., and de Groot R.A. J. Phys. Chem. A 103 (1999) 5113
8. Vogel D., Krüger P., and Pollmann J. Phys. Rev. 58 (1998) 3865
9. Victora R.H. Phys. Rev. B 56 (1997) 4417
10. Kirchhoff K., Holender J.M., and Gillan M.J. Phys. Rev. B 49 (1994) 17420
11. Tejeda J., Shevchick N.J., Braun W., Goldmann A., and Cardona M. Phys. Rev. B 12 (1975) 1557
12. Barry Kunz A. Phys. Rev. B 15 (1982) 2070
13. Bassani F., Knox R.S., and Fowler W.B. Phys. Rev. 137 (1965) A1217
14. Mason M.G., Tan Y.T., Miller T.J., Kwawer G.N., Brown F.C., and Kunz A.K. Phys. Rev. B 42 (1990) 2996
15. Scop P.M. Phys. Rev. 139 (1965) A935
16. Onwuagba B.N. Solid State Commun. 97 (1996) 267
17. Hull S., and Keen D.A. Phys. Rev. B 59 (1998) 750
18. Vegard L. Z. Phys. 5 (1921) 17
19. Zunger A., Wei S.-H., Ferreira L.G., and Bernard J.E. Phys. Rev. Lett. 65 (1990) 353
20. Blaha P., Schwarz K., Madsen G.K.H., Kvasnicka D., and Luitz J. WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (2001), Vienna University of Technology, Vienna, Austria
21. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
22. Kohn W., and Sham L.J. Phys. Rev. 140 (1965) A1133
23. Perdew J.P., Burke S., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
24. Engel E., and Vosko S.H. Phys. Rev. B 47 (1993) 13164
25. Murnaghan F.D. Proc. Nat. Acad. Sci. USA 30 (1944) 5390
26. Zaoui A., Ferhat M., Khelifa B., Dufour J.P., and Aourag H. Phys. Status Solidi B 185 (1994) 163
27. El Haj Hassan F., Hashemifar S.J., and Akbarzadeh H. Phys. Rev. B 73 (2006) 195202
28. Amrani B., Benmessabih T., Tahiri M., Chiboub I., Hiadsi S., and Hamdache F. Physica B 381 (2006) 179
29. Srivastava G.P., Martins G.L., and Zunger A. Phys. Rev. B 31 (1985) 2561
30. Bernard J.E., and Zunger A. Phys. Rev. B 34 (1986) 5992
31. Wei S.-H., Ferreira L.G., Bernard J.E., and Zunger A. Phys. Rev. B 42 (1990) 9622
32. Swalin R.A. Thermodynamics of Solids (1961), Wiley, New York
33. Ferreira L.G., Wei S.-H., Bernard J.E., and Zunger A. Phys. Rev. B 40 (1999) 3197
34. Teles L.K., Furthmüller J., Scolfaro L.M.R., Leite J.R., and Bechstedt F. Phys. Rev. B 62 (2000) 2475
35. El Haj Hassan F. Phys. Status Solidi B 242 (2005) 3129
36. Stringfellow G.B. J. Cryst. Growth 27 (1974) 21
37. Ho I.-h., and Stringfellow G.B. Appl. Phys. Lett. 69 (1996) 2701
38. In: Hellwege K.H., and Madelung O. (Eds). Semiconductor Physics of II-VI and I-VII Compounds. Semimagnetic Semiconductors, Landolt-Bornstein, New York Series Group III vol. 17 (1987), Springer, Berlin Pt. b
39. Okoye C.M.I. Solid State Commun. 129 (2004) 69
40. Wyckoff R.W.G. Crystal Structures (1963), Wiley, New York
41. Loje K.F., and Schuele D.E. J. Phys. Chem. Solids 31 (1970) 2051