Electronic structure of II B-VI semiconductors in the GW approximation

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 4, 2005, Pages

  Fleszar, A ^a   Hanke, W ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CADMIUM; CATION; MERCURY; ZINC;

ARTICLE; CALCULATION; ELECTRON; MATHEMATICAL MODEL; SEMICONDUCTOR; STRUCTURE ANALYSIS;

EID: 15744395131     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.045207     Document Type: Article

References (49)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1965); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
2. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1965); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
3. S.-H. Wei and A. Zunger, Phys. Rev. B 37, 8958 (1988).
4. L. Hedin, Phys. Rev. 139, A796 (1965).
5. L. Hedin and S. Lundqvist, in Solid State Physics, edited by H. Ehrenreich, F. Seitz, and D. Turnbull (Academic, New York, 1969), Vol. 23, p. 1.
6. G. Strinati, H. J. Mattausch, and W. Hanke, Phys. Rev. Lett. 45, 290 (1980); Phys. Rev. B 25, 2867 (1981); W. Hanke, M. Meskini, and H. Weiler, in Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter, edited by J. T. Devreese and P. van Camp (Plenum, New York, 1985), p. 113.
7. G. Strinati, H. J. Mattausch, and W. Hanke, Phys. Rev. Lett. 45, 290 (1980); Phys. Rev. B 25, 2867 (1981); W. Hanke, M. Meskini, and H. Weiler, in Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter, edited by J. T. Devreese and P. van Camp (Plenum, New York, 1985), p. 113.
8. G. Strinati, H. J. Mattausch, and W. Hanke, Phys. Rev. Lett. 45, 290 (1980); Phys. Rev. B 25, 2867 (1981); W. Hanke, M. Meskini, and H. Weiler, in Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter, edited by J. T. Devreese and P. van Camp (Plenum, New York, 1985), p. 113.
9. M. S. Hybertsen and S. G. Louie, Phys. Rev. Lett. 55, 1418 (1985); Phys. Rev. B 34, 5390 (1986).
10. M. S. Hybertsen and S. G. Louie, Phys. Rev. Lett. 55, 1418 (1985); Phys. Rev. B 34, 5390 (1986).
11. R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. Lett. 56, 2415 (1986); Phys. Rev. B 37, 10 159 (1988) .
12. R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. Lett. 56, 2415 (1986); Phys. Rev. B 37, 10 159 (1988) .
13. F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. 61, 237 (1998).
14. W. G. Aulbur, L. Jönsson, and J. W. Wilkins, in Solid State Physics, edited by H. Ehrenreich and F. Spaepen (Academic, New York, 2000), Vol. 54, p. 1.
15. F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B 54, 17 564 (1996).
16. M. Oshikiri and F. Aryasetiawan, Phys. Rev. B 60, 10 754 (1999).
17. M. Rohlfing, P. Krüger, and J. Pollmann, Phys. Rev. Lett. 75, 3489 (1995).
18. M. Rohlfing, P. Krüger, and J. Pollmann, Phys. Rev. B 57, 6485 (1998).
19. M. Rohlfing and S. G. Louie, Phys. Rev. B 57, R9392 (1998).
20. W. Luo, S. Ismail-Beigi, M. L. Cohen, and S. G. Louie, Phys. Rev. B 66, 195215 (2002).
21. O. Zakharov, A. Rubio, X. Blase, M. L. Cohen, and S. G. Louie, Phys. Rev. B 50, 10780 (1994).
22. T. Kotani and M. van Schilfgaarde, Solid State Commun. 121, 461 (2002).
23. W. Ku and A. G. Eguiluz, Phys. Rev. Lett. 89, 126401 (2002).
24. A similar conclusion was presented before for Ag: P. Horsch, W. von der Linden, and W.-D. Lukas, Solid State Commun. 62, 359 (1987).
25. M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67 (1999).
26. A. Fleszar and W. Hanke, Phys. Rev. B 56, 10228 (1997).
27. M. L. Tiago, S. Ismail-Beigi, and S. G. Louie, Phys. Rev. B 69, 125212 (2004).
28. H. D. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
29. F. Gygi and A. Baldereschi, Phys. Rev. B 34, 4405 (1986).
30. A. Fleszar and W. Hanke, Phys. Rev. B 62, 2466 (2000).
31. A. Fleszar, Phys. Rev. B 64, 245204 (2001).
32. We have used the plasmon-pole model of R. Hott, Phys. Rev. B 44, 1057 (1991), which is a modified version of the model of W. von der Linden and P. Horsch, ibid. 37, 8351 (1988).
33. We have used the plasmon-pole model of R. Hott, Phys. Rev. B 44, 1057 (1991), which is a modified version of the model of W. von der Linden and P. Horsch, ibid. 37, 8351 (1988).
34. 8 level, the gap in these materials is negative.
35. K. Dybko, W. Szuszkiewicz, E. Dynowska, W. Paszkowicz, and B. Witkowska, Physica B 256, 629 (1998).
36. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
37. D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B 52, R14316 (1995).
38. Semiconductors: Technology of III-V, II-VI and Non-Tetrahedrally Bonded Compounds, edited by O. Madelung, Landolt-Börnstein, New Series, Group III, Vol. 17, Pt. d (Springer, Berlin, 1982).
39. B. Holm and U. von Barth, Phys. Rev. B 57, 2108 (1998).
40. W.-D. Schoene and A. G. Eguiluz, Phys. Rev. Lett. 81, 1662 (1998).
41. G. D. Mahan, Comments Condens. Matter Phys. 16, 333 (1994).
42. P. Streitenberger, Phys. Status Solidi B 125, 681 (1984); Phys. Lett. 106A, 57 (1984).
43. P. Streitenberger, Phys. Status Solidi B 125, 681 (1984); Phys. Lett. 106A, 57 (1984).
44. See the Ref. 24 in M. S. Hybertsen and S. G. Louie, Phys. Rev. B 34, 5390 (1986).
45. R. Del Sole, L. Reining, and R. W. Godby, Phys. Rev. B 49, 8024 (1994).
46. In the self-consistent calculations of Ref. 18 the off-diagonal elements of the self-energy have beeen neglected.
47. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
48. In connection with ab initio calculations two methods have gained a certain popularity: the self-interaction correction (SIC) method in its various versions (see Refs. 30 and 31) and the LDA+U method (Ref. 42).
49. V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B 44, 943 (1991).