Theoretical study of the ordered-vacancy semiconducting compound CdAl2Se4

Journal of Physics Condensed Matter

Volumn 13, Issue 8, 2000, Pages 1669-1684

  Fuentes Cabrera, Miguel ^a   Sankey, Otto F ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; ENERGY GAP; GROUND STATE; LATTICE VIBRATIONS; PRESSURE EFFECTS; PROBABILITY DENSITY FUNCTION;

CADMIUM ALUMINUM SELENIDE; CHALCOPYRITE;

SEMICONDUCTING CADMIUM COMPOUNDS;

EID: 0342420586     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/13/8/305     Document Type: Article

References (26)

1. Parthé E 1964 Crystal Chemistry of Tetrahedral Structures (New York: Gordon and Breach)
2. Pamplin B R 1960 Nature 188 136
3. Bernard J E and Zunger A 1988 Phys. Rev. B 37 6835
4. Marinelli M, de Pascale T M, Meloni F, Mula G, Serra M and Baroni S 1989 Phys. Rev. B 40 1725
5. Ursaki V V, Burlakov I I, Tiginyanu I M, Raptis Y S, Anastassakis E and Anedda A 1999 Phys. Rev. B 59 257
6. Hahn H, Franck G, Kligler W and Storger A D 1955 Z. Anorg. Allg. Chem. 279 241
7. Range K J, Becker W and Weiss A 1968 Z. Naturf. b 23 1261
8. Krauss G, Krämer V, Eifler A, Riede V and Wenger S 1997 Cryst. Res. Technol. 32 223
9. Hecht D-D, Eifler A, Riede V, Schubert M, Krauß G and Krämer V 1998 Phys. Rev. B 57 7037
10. Eifler A, Hecht J-D, Riede V, Lippold G, Schmitz W, Krauß W, Krämer V and Grill W 1999 J. Phys.: Condens. Matter 11 4821
11. Eifler A, Hecht J-D, Lippold G, Riede V, Grill W, Krauß G and Krämer V 1999 Physica B 263+264 806
12. The Vienna Ab Initio Simulation Program (VASP) developed at the Institut für Theoretiche Physik of the Technische Universität Wien: Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15
13. Vanderbilt D 1990 Phys. Rev. B 41 7892
14. Kresse G and Hafner J 1993 Phys. Rev. B 47 558
15. Kresse G and Furthmüller J J 1996 Phys. Rev. B 55 11 169
16. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
17. Perdew J and Zunger A 1981 Phys. Rev. B 23 5048
18. Perdew J P 1991 Electron Structure of Solids ed P Ziesche and H Eschrig (Berlin: Akademie) p 11
19. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5189
20. Birch F 1952 J. Geophys. Res. 57 227
21. Fritsche L and Gu Y M 1993 Phys. Rev. B 48 4250
22. Remediaki I N and Kaxiras E 1999 Phys. Rev. B 59 5536
23. Dong J, Sankey O F, Deb K S, Wolf G and McMillan P F 2000 Phys. Rev. B 61 11 979
24. Dong J, Sankey O F and Kern G 1999 Phys. Rev. B 60 950
25. Dong J and Sankey O F 1999 J. Phys.: Condens. Matter 11 6129
26. Fateley W G, Dollis F R, McDevitt N T and Bently F F 1972 Infrared and Raman Selection Rules for Molecular and Lattice Vibrations: the Correlation Method (London: Wiley)