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Ab initio studies of band parameters of AIIIBV and AIIBVI zinc-blende semiconductors
Karazhanov S.Zh.1, Lew Yan Voon L.C.1
1Department of Physics, Worcester Polytechnic Institute, Worcester, Massachusetts, USA
Поступила в редакцию: 5 ноября 2003 г.
Выставление онлайн: 20 января 2005 г.
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Electronic band-structure calculations have been performed for zinc-blende AIIIBV (AlP, AlAs, AlSb, GaP, GaAs, GaP, InP, InAs, InSb) and AIIBVI (ZnS, ZnSe, ZnTe, CdS, CdSe, CdTe) semiconductors by the ab initio pseudopotential method within the local-density approximation (LDA). The lattice parameters, band gaps, Luttinger parameters, momentum matrix elements and effective masses are studied in detail. It is shown that LDA calculations cannot give accurate band parameters systematically. It is found that LDA band parameters calculated using the experimentally determined lattice constants are more accurate than those using the LDA lattice constants. We found that inclusion of d-electrons of group-II atoms into the core gives more accurate band parameters.
  1. L.J. Sham, M. Schluter. Phys. Rev. Lett., 51, 1888 (1983)
  2. P. Lawaetz. Phys. Rev. B, 4, 3460 (1971)
  3. M. Willatzen, M. Cardona, N.E. Christensen. Phys. Rev. B, 50, 18 054 (1994)
  4. M. Willatzen, M. Cardona, N.E. Christensen. Phys. Rev. B, 51, 13 150 (1995)
  5. M. Willatzen, M. Cardona, N.E. Christensen. Phys. Rev. B, 51, 17 992 (1995)
  6. L.C. Lew Yan Voon, M. Willatzen, M. Cardona. Phys. Rev. B, 53, 10 703 (1996)
  7. L.C. Lew Yan Voon, S. Karazhanov, W.A. Harrison. Phys. Rev. B, 66, 23 5211 (2002)
  8. V. Fiorentini, A. Baldereschi. J. Phys.: Condens Matter., 4, 5967 (1992)
  9. V. Fiorentini. Phys. Rev. B, 46, 2086 (1992)
  10. C.B. Geller, W. Wolf, S. Picozzi, A. Continenza, R. Asahi, W. Mannstadt, A.J. Freeman, E. Wimmer. Appl. Phys. Lett., 79, 368 (2001)
  11. L.-W. Wang, A. Zunger. Phys. Rev. B, 51, 17 398 (1995)
  12. E.O. Kane. Phys. Rev. B, 4, 1910 (1971)
  13. C.S. Wang, B.M. Klein. Phys. Rev. B, 24, 3393 (1981)
  14. M.-Z. Huang, W.Y. Ching. J. Phys. Chem. Sol., 46, 977 (1985)
  15. R. Winkler. In: Proc. 24th Int. conf. on the physics of semiconductors, ed. by D. Gershoni (World Scientific, Jerusalem, 1998)
  16. H. Kageshima, K. Shiraishi. Phys. Rev. B, 56, 14 985 (1997)
  17. T.E. Ostromek. Phys. Rev. B, 54, 14 467 (1996)
  18. P. Pfeffer, W. Zawadzki. Phys. Rev. B, 53, 12 813 (1996)
  19. Z.H. Levine, D.C. Allan. Phys. Rev. Lett., 63, 1719 (1989)
  20. A.L. Efros, M. Rosen. Appl. Phys. Lett., 73, 1155 (1998)
  21. H. Fu, L.-W. Wang, A. Zunger. Appl. Phys. Lett., 71, 3433 (1997)
  22. T. Nakashima, C. Hamaguchi, J. Komeno, M. Ozeki. J. Phys. Soc. Japan 54, 725 (1985)
  23. C. Hermann, C. Weisbuch. Phys. Rev. B, 15, 823 (1977)
  24. S.-H. Wei, A. Zunger. Phys. Rev. B, 37, 8958 (1988)
  25. O. Zakharov, A. Rubio, X. Blase, M.L. Cohen, S.G. Louie. Phys. Rev. B, 50, 10 780 (1994)
  26. P. Schroer, P. Kruger, J. Pollman. Phys. Rev. B, 47, 6971 (1993)
  27. M. Rohlfing, P. Kruger, J. Pollmann. Phys. Rev. B, 56, R7065 (1997)
  28. M. Rohlfing, P. Kruger, J. Pollman. Phys. Rev. B, 57, 6485 (1998)
  29. W. Luo, S. Ismail-Beigi, M.L. Cohen, S.G. Louie. Phys. Rev. B, 66, 19 5215 (2002)
  30. L. Ley, R.A. Pollak, F.R. McFeely, S.P. Kowalczyk, D.A. Shirley. Phys. Rev. B, 9, 600 (1974)
  31. N. Trouillier, J.L. Martins. Phys. Rev. B, 43, 1993 (1991)
  32. L.-W. Wang. Planewave total energy code (PEtot), http://www.nersc.gov/~linwang/PEtot/PEtot.html (2001)
  33. J.P. Perdew, A. Zunger. Phys. Rev. B, 23, 5048 (1984)
  34. D.M. Ceperley, B.J. Alder. Phys. Rev. Lett., 45, 566 (1980)
  35. M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos. Rev. Mod. Phys., 64, 1045 (1992)
  36. S.K. Pugh, D.J. Dugdale, S. Brand, R.A. Abram. Semicond. Sci. Technol., 14, 23 (1999)
  37. O. Madelung, M. Schulz, eds. Numerical data and functional relationships in science and technology. New series. Croup III: crystal and solid state physics. Semiconductors. Suppl and extens v. III/17. Intrinsic properties of group IV elements and III--V, II--VI and I--VII compounds (Springer Verlag, Berlin, 1982) v. 22a
  38. N.K. Abrikosov, V.B. Bankina, L.V. Portskaya, L.E. Shelimova, E.V. Skudnova. Semiconducting II--VI, IV--VI, and V--VI compounds (Plenum, N.Y., 1969)
  39. O. Madelung, M. Schulz, H. Weiss, eds. Numerical data and functional relationships in science and technology. New series. Group III: crystal and state physics. Semiconductors. Physics of group IV elements and III--V compounds (Springer Verlag, Berlin, 1982) v. 17a
  40. O. Madelung, ed. Data in science and technology. Semiconductors: other than group IV elements and III--V compounds (Springer Verlag, Berlin Heidelberg, 1992)
  41. S.-H. Wei, A. Zunger. Phys. Rev. B, 39, 3279 (1989)
  42. H. Fu, A. Zunger. Phys. Rev. B, 55, 1642 (1997)
  43. M.L. Cohen, J.R. Chelikowsky. Electronic structure and optical properties of semiconductors (Springer Verlag, Berlin, Heidelberg, 1988)
  44. H. Fu, L.-W. Wang, A. Zunger. Appl. Phys. Lett., 73, 1157 (1998)
  45. N. Cavassilas, F. Aniel, K. Boujdaria, G Fishman. Phys. Rev. B, 64, 11 5207 (2001)
  46. D.M. Wood, A. Zunger. Phys. Rev. B, 53, 7949 (1996)
  47. L.-W. Wang, J. Kim, A. Zunger. Phys. Rev. B, 59, 5678 (1999).

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