A variational method in terms of Wannier functions is used to study the structural and electronic properties of thin GaAs-AlAs superlattices with homopolar interfaces. We compute self-consistently ionic relaxations, charge transfers, potential barriers, interactions between Wannier functions, and band structures for several [001]- and [111]- oriented superlattices. The results of our localized scheme are compared with experimental information, as band discontinuities, for thick superlattices.
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Sánchez‐Dehesa et al. (1982) studied this question.
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