First-principles study of structural and electronic properties of different phases of GaAs

Physica B: Condensed Matter

Volumn 373, Issue 1, 2006, Pages 16-22

  Arabi, H ^a   Pourghazi, A ^b   Ahmadian, F ^a   Nourbakhsh, Z ^b  

^a UNIVERSITY OF BIRJAND   (Iran)

^b UNIVERSITY OF ISFAHAN   (Iran)

Author keywords

Density functional theory; Electronic properties; FP LAPW; GaAs phases; Structural properties

Indexed keywords

APPROXIMATION THEORY; ELASTIC MODULI; LATTICE CONSTANTS; PHYSICAL PROPERTIES; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; FP-LAPW; GAAS PHASES; STRUCTURAL PROPERTIES;

SEMICONDUCTING GALLIUM COMPOUNDS;

EID: 31544450996     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2005.10.130     Document Type: Article

References (27)

1. R. Khenata, H. Baltache, M. Sahnoun, M. Driz, M. Rerat, and B. Abbar Physica B 336 2003 321
2. A.A. Kelsey, G.J. Ackland, and S.J. Clark Phys. Rev. B 57 1998 R2029
3. S.T. Weir, Y.K. Vohra, C.A. Vanderborgh, and A.L. Ruoff Phys. Rev. B 39 1989 1280
4. M.I. McMahon, and R.J. Nelmes Phys. Stat. Sol. (b) 198 1996 389
5. M.I. McMahon, and R.J. Nelmes Phys. Rev. Lett. 78 1997 3697
6. M.I. McMahon, R.J. Nelmes, D.R. Allan, S.A. Belmonte, and T. Bovornratanaraks Phys. Rev. Lett. 80 1998 5564
7. J.C. Slater Adv. Quant. Chem. 1 1994 35
8. J.P. Perdew, and A. Zunger Phys. Rev. B 23 1981 5048
9. J.P. Perdew, S. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
10. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz WIEN2K, An Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties 2001 Karlheinz Schwarz, Technical Universität Wien, Austria 3-9501031-1-2
11. F.D. Murnaghan Proc. Natl. Acad. Sci. USA 30 1994 244
12. C. Filippi, D.J. Singh, and C.J. Umrigar Phys. Rev. B 50 1994 14947
13. A. Mokhtari, and H. Akbarzadeh Physica B 337 2003 122
14. E. Engel, and S.H. Vosko Phys. Rev. B 47 1993 13164
15. P. Dufek, P. Blaha, and K. Schwarz Phys. Rev. B 50 1994 7279
16. R. Miotto, and G.P. Srivastava Phys. Rev. B 59 1999 3008
17. A. DalCorso, A. Pasquarello, A. Baldereschi, and R. Car Phys. Rev. B 53 1996 1180
18. O. Madelung (Ed.), Semiconductors, Group IV Elements and III-V Compounds, Landolt-Bornstein, New Series, Group III, vol. 17, Pt. a, Springer, Berlin, 1991.
19. A. Mujica, R.J. Needs, and A. Munoz Phys. Rev. B 52 1995 8881
20. M.I. McMahon, T. Bovornratanaraks, D.R. Allan, S.A. Belmonte, The University of Edinburgh, Edinburgh, Lothian EH9 3JZ, UK.;
21. Y. Wang, T. Uchida, M. Rivers, S. Sutton, CARS-CAT, Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, USA
22. A. Mujica, and A. Munoz Phys. Rev. B 57 1998 1344
23. M. Durandurdu, and D.A. Drabold Phys. Rev. B 66 2002 045209
24. A. Mujica, and R.J. Needs J. Phys: Condens. Matter 8 1996 L237
25. Y.G. Gogotsi, V. Domnich, S.N. Dub, A. Kailer, and K.G. Nickel J. Mater. Res. 15 4 2000 871
26. J.M. Besson, J.P. Itie, G. Wiell, J.L. Mansot, and J. Ganzalez Phys. Rev. B 44 1991 4214
27. P.E. Blochl, O. Jepsen, and O.K. Anderson Phys. Rev. B 49 1994 1623