Effects of Interface Atomic Configurations on Electronic Structures of Semiconductor Superlattices

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Abstract
The electronic structures are calculated using the semiempirical s p 3 s * tight-binding method for [001] GaAs/ZnSe and GaAs/AlAs semiconductor superlattices which have several structures at the interface. The results of calculation show that in GaAs/ZnSe superlattices electrons and holes are localized around donor (Ga-Se) and acceptor (Zn-As) bonds at the interface, respectively, and that the band-gap energy changes largely (∼0.3 eV) with varying configuration of donor and acceptor bonds. In GaAs/AlAs superlattices, because the difference in ionicity between GaAs and AlAs is small, there is little difference in the electronic structures between superlattices with various interface structures.