Abstract

A first-principles all-electron band structure calculation for the (GaP) 1(InP) 1(111) superlattice reveals a novel band structure with a direct energy-band gap. The state at the bottom of the conduction band is strongly localized in the GaP layer, which is composed of states at the τ and L points in bulk zinc blende GaP. The state at the top of the valence band is weakly localized in the InP layer. The direct band gap is smaller by 0.33 eV than the average of the gaps of bulk GaP and InP at the τ point.

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