Structural and electronic properties of bulk GaAs, bulk AlAs, and the (GaAs)1(AlAs)1 superlattice

B. I. Min, S. Massidda, Arthur J Freeman

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Abstract

Ground-state electronic and cohesive properties of the pure compounds GaAs and AlAs and of the (GaAs)1(AlAs)1 (001) superlattice are investigated using a highly precise local-density all-electron total-energy band-structure approach the self-consistent full-potential linearized augmented-plane-wave (FLAPW) band method to obtain the energy bands, density of states, and total energies. The effects of Ga 3d states, spin-orbit interactions, and pressure on the energy gap are analyzed quantitatively. The energy gap of the (1×1) superlattice is found to be direct. The instability of the (1×1) superlattice relative to the constituent pure compounds at T=0 is determined from total-energy differences to be 13.5 meV.

Original languageEnglish
Pages (from-to)1970-1977
Number of pages8
JournalPhysical Review B
Volume38
Issue number3
DOIs
Publication statusPublished - 1988

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ASJC Scopus subject areas

  • Condensed Matter Physics

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