Non-local screened-exchange calculations for defects in semiconductors: Vacancy in silicon

Journal of Physics Condensed Matter

Volumn 15, Issue 25, 2003, Pages 4387-4395

  Lento, J ^a   Nieminen, R M ^a  

^a AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CRYSTAL DEFECTS; ELECTRONIC STRUCTURE; SEMICONDUCTOR MATERIALS;

ELECTRONIC LEVELS;

SILICON;

EID: 0038045574     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/15/25/309     Document Type: Article

References (32)

1. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
2. Kohn W and Sham L J 1965 Phys. Rev. A 140 1133
3. Jones R O and Gunnarsson O 1989 Rev. Mod. Phys. 61 689
4. Seidl A, Görling A, Vogl P, Majewski J A and Levy M 1996 Phys. Rev. B 53 3764
5. Engel G E 1997 Phys. Rev. Lett. 78 3515
6. Perdew J P and Levy M 1983 Phys. Rev. Lett. 51 1884 Sham L J and Schlüter M 1983 Phys. Rev. Lett. 51 1888
7. Sham J P and Levy M 1983 Phys. Rev. Lett. 51 1884 Sham L J and Schlüter M 1983 Phys. Rev. Lett. 51 1888
8. Bylander B M and Kleinman L 1990 Phys. Rev. B 41 7868
9. Asahi R, Mannstadt W and Freeman A J 2000 Phys. Rev. B 62 2552
10. Picozzi S, Continenza A, Asahi R, Mannstadt M, Freeman A J, Wolf W, Wimmer E and Geller C B 2000 Phys. Rev. B 61 4677
11. Hedin L 1965 Phys. Rev. A 139 796
12. Fiorentini V 1992 Phys. Rev. B 46 2086
13. Watkins G D 1986 Deep Centers in Semiconductors ed S T Pantelides (New York: Gordon and Breach) p 147
14. Puska M J, Pöykkö S, Pesola M and Nieminen R M 1998 Phys. Rev. B 58 1318
15. Probert M I J and Payne M C 2003 Phys. Rev. B 67 075204
16. Baraff G A, Kane E O and Schlüter M 1980 Phys. Rev. B 21 3563
17. Puska M J and Corbel C 1988 Phys. Rev. B 38 9874
18. Mäkinen J, Hautojärvi P and Corbel C 1992 J. Phys.: Condens. Matter 4 5137
19. Samara G A 1988 Phys. Rev. B 37 8523 Samara G A 1989 Phys. Rev. B 39 12764
20. Samara G A 1988 Phys. Rev. B 37 8523 Samara G A 1989 Phys. Rev. B 39 12764
21. Scheffler M, Vigneron J P and Bachelet G B 1985 Phys. Rev. B 31 6541
22. Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
23. Louie S G, Froyen S and Cohen M L 1982 Phys. Rev. B 26 1738
24. Perdew J P, Burke K and Wang Y 1996 Phys. Rev. B 54 16533 Perdew J P, Jackson K A, Pederson M R, Singh D J and Fiolhais C 1992 Phys. Rev. B 46 6671
25. Perdew J P, Burke K and Wang Y 1996 Phys. Rev. B 54 16533 Perdew J P, Jackson K A, Pederson M R, Singh D J and Fiolhais C 1992 Phys. Rev. B 46 6671
26. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
27. Makov G, Shah R and Payne M C 1996 Phys. Rev. B 53 15513
28. Lento J, Mozos J-L and Nieminen R M 2002 J. Phys.: Condens. Matter 14 2637
29. Moreno J and Soler J M 1992 Phys. Rev. B 45 13891
30. Zhang S B and Northrup J E 1991 Phys. Rev. Lett. 67 2339
31. Tassone F, Mauri F and Car R 1994 Phys. Rev. B 50 10561 Williams A and Soler J 1986 Bull. Am. Phys. Soc. 32 562
32. Tassone F, Mauri F and Car R 1994 Phys. Rev. B 50 10561 Williams A and Soler J 1986 Bull. Am. Phys. Soc. 32 562