Electronic Structures of Hetero-Crystalline Semiconductor Superlattices

  • T. Nakayama
  • M. Murayama
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 70)


Crystal structures of hetero-crystalline superlattices are proposed and band structures of (hexagonal-diamond Si)/(cubic-diamond Si) and (wurzite ZnS)/(zinc-blend ZnS) superlattices are calculated using the first-principles pseudopotential method within LDA. It is shown that, in both superlattices, the states around the fundamental gap show charge densities localized in one constituent layers, indicating that these superlattices give good quantum well systems. Band offsets are also evaluated.




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    M.Saito, K.Hiraga and K.Sumino, Jpn. J. Appl. Phy. 19, L-195 (1980); K.Hiraga, M.Hirabayashi, M.Sato and K.Sumino, Crystal Research and Technology 17, 189 (1982).Google Scholar
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    In order to correct the band gap energies obtained in LDA, all the band gap energies are constantly shifted by +0.7eV in Si systems and +0.4eV in ZnS systems using a scissor operator. See for example, D.M.Bylander and L.Kleinman, Phys. Rev. B34, 5280 (1986).CrossRefGoogle Scholar
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    See for example, C.G. van de Walle and R.M.Martin, J. Vac. Sci. Tech. B3, 1256 (1985).CrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1992

Authors and Affiliations

  • T. Nakayama
    • 1
  • M. Murayama
    • 1
  1. 1.Department of Physics, Faculty of ScienceChiba UniversityYayoi, Chiba 260Japan

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