All-electron (formula presented) calculation based on the LAPW method: Application to wurtzite ZnO

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 12, 2002, Pages 1-8

  Usuda, Manabu ^a   Hamada, Noriaki ^a   Kotani, Takao ^b   Van Schilfgaarde, Mark ^c  

^a TOKYO UNIVERSITY OF SCIENCE   (Japan)

^b OSAKA UNIVERSITY   (Japan)

^c SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84863640066     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.125101     Document Type: Article

References (26)

1. L. Hedin, Phys. Rev. 139, A796 (1965);
2. L. Hedin and S. Lundqvist, in Solid State Physics, edited by F. Seitz, and D. Turnbull, and H. Ehrenreich (Academic, New York, 1969), Vol. 23 p. 1.
3. M.S. Hybertsen and S.G. Louie, Phys. Rev. B 34, 5390 (1986).
4. F. Aryasetiawan, in Strong Coulomb Correlations in Electronic Structure Calculations, edited by V. I. Anisimov (Gordon and Breach, New York, 2000).
5. T. Takeda and J. Kübler, J. Phys. F: Met. Phys. 9, 661 (1979);
6. H.J.F. Jansen and A.J. Freeman, Phys. Rev. B 30, 561 (1984).
7. T. Kotani and M. van Schilfgaarde, Solid State Commun. (to be published).
8. M. Methfessel, M. van Schilfgaarde, and R. A. Casali, in Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method, Lecture Notes in Physics Vol. 535, edited by H. Dreysse (Springer-Verlag, Berlin, 2000).
9. F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B 49, 16 214 (1994).
10. M. Joseph, H. Tabata, and T. Kawai, Jpn. J. Appl. Phys., Part 2 38, L1205 (1999).
11. T. Kotani, M. van Schilfgaarde, M. Usuda, and N. Hamada, (unpublished).
12. J. Rath and A.J. Freeman, Phys. Rev. B 11, 2109 (1975).
13. S.H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
14. H. Schulz and K.H. Theimann, Solid State Commun. 32, 783 (1979).
15. M. Methfessel, Phys. Rev. B 38, 1537 (1988).
16. P. Schröer, P. Krüger and J. Pollmann, Phys. Rev. B 47, 6971 (1993).
17. S. Massidda, R. Resta, M. Posternak, and A. Baldereschi, Phys. Rev. B 52, R16977 (1995).
18. M. Oshikiri and F. Aryasetiawan, J. Phys. Soc. Jpn. 69, 2123 (2000).
19. E.M. Maksimov, I.I. Mazin, S.Yu. Savrasov, and Yu.A. Uspenski, J. Phys.: Condens. Matter 1, 2493 (1989).
20. B. Arnaud and M. Alouani, Phys. Rev. B 62, 4464 (2000).
21. Wei Ku and Adolfo Eguilez, (unpublished).
22. L. Ley, R.A. Pollak, F.R. McFeely, S.P. Kowalczyk, and D.A. Shirley, Phys. Rev. B 9, 600 (1974).
23. This value is taken from Ref. 20. On the other hand, different values for the center of the Zn (formula presented) position are also reported: (formula presented) byC.J. Vesely and D.W. Langer, Phys. Rev. B 4, 451 (1971);
24. Phys. Rev. B(formula presented) byR.A. Powell, W.E. Spicer, and J.C. McMenamin, 6, 3056 (1972).
25. M van Schilfgaarde, W. Lambrecht, and T. Kotani (unpublished).
26. http://al1. phys. sci. osaka-u. ac. jp