Ab initio calculation of ZnSiAs2 and CdSiAs2 semiconductor compounds

Physica B: Condensed Matter

Volumn 406, Issue 2, 2011, Pages 169-176

  Boukabrine, F ^a   Chiker, F ^a   Khachai, H ^a   Haddou, A ^a   Baki, N ^a   Khenata, R ^b,c   Abbar, B ^a   Khalfi, A ^a  

^a UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^b KING SAUD UNIVERSITY   (Saudi Arabia)

^c UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

Ab initio calculation; FPLAPW method; Pnictides family type IIIVV2

Indexed keywords

AB INITIO CALCULATIONS; AUGMENTED PLANE WAVES; BAND GAPS; DIELECTRIC FUNCTIONS; DIRECT BAND GAP; FP-LAPW METHOD; IMAGINARY PARTS; LOCAL ORBITALS; PNICTIDES FAMILY TYPE IIIVV2; REFLECTIVITY SPECTRA; SEMICONDUCTOR COMPOUNDS; TERNARY CHALCOPYRITES;

CALCULATIONS; COPPER COMPOUNDS; ENERGY GAP;

OPTICAL PROPERTIES;

EID: 78649518905     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.10.024     Document Type: Article

References (27)

1. J.L. Shay, and J.H. Wernick Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties and Applications 1974 Pergamon Press Oxford
2. J.E. Jaffe, and A. Zunger Phys. Rev. B 28 1983 5822
3. S.C. Abrahams, and J.L. Bernstein J. Chem. Phys. 55 1971 796
4. B. Tell, J.L. Shay, and H.M. Kasper Phys. Rev B 9 1974 5203
5. A.G. Jackson, M.C. Ohmer, and S.R. Leclair Phys. Technol. 38 1997 233
6. L.A. Maltseva, and Y.V. Rud Sov. Phys. Techol. Phys. Lett. 2 1976 266
7. J.E. Jaffe, and D. Zunger Phys. Rev. B 29 1984 1889
8. J.E. Jaffe, and A. Zunger Phys. Rev. B 27 1983 5176
9. W. Kohn, and L.J. Sham Phys. Rev. 140, A 1965 1133
10. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864
11. T.L. Loucks Augmented Plane Wave Method 1967 Benjamin W.A. Inc. New York
12. J.C. Slater, Phys. Rev. 51 (1937) 151.
13. J. Korringa Physica 13 1947 392
14. W. Kohn, and N. Rostoker Phys. Rev. 94 1954 1111
15. O.K. Andersen Phys. Rev. B 12 1975 3060
16. E. Sjstedt, L. Nordstrm, and D.J. Singh Solid. State. commun. 114 2000 15
17. K. Schwarz, P. Blaha, and G.K.H. Madsen Comp. Phys. Commun. 147 2002 71
18. F. Chiker, B. Abbar, A. Tadjer, S. Bresson, B. Khelifa, and C. Mathieu Phys. B: Phys. Condens. Matter 349/14 2004 181
19. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
20. F.D. Murnaghan Proc. Natl. Acad. Sci. USA 30 1944 244
21. A. Mackinno, Numerical data and functional relationships in science and technology, in: O. Madelung (Ed.), Landolt-Brnstein New Series, Group III, vol. 17, Pt. h, Springer, Berlin, 1985, p. 9.
22. N. Sergey Rashkeev, Sukit Limpijumnong, and R.L. Lambrecht Phys. Rev. B 59 1999 2737
23. R.W.G. Wyckoff Crystal Structures 1963 Interscience New York
24. R.R. Reddy, Y.N. Ahammed, K.R. Gopal, P.A. Azeem, T.V.R. Roa, and P.M. Reddy Opt. Mater. 14 2000 355
25. M.I. Alonso, K. Wakita, J. Pascual, M. Garriga, and N. Yamamoto Phys. Rev. B 63 2001 075203
26. F. Chiker, B. Abbar, H. Aourag, A. Tadjer, S. Bresson, B. Khelifa, and C. Mathieu Chem. Phys. 298 2004 135 140
27. B. Xu Physica B 404 2009 1326