Abstract
We carried out first-principles calculation of (AlAs)m/(GaP)n superlattices (SLs) (m=n: 1≤n≤5, m+n=3, m+n=5) using the full-potential linearized augmented plane-wave (FLAPW) method. The SLs are assumed to grow epitaxially on (001) GaAs and GaAsP substrates. In the case of m+n=5 [(1,4), (2,3), (3,2)] on (001) GaAs and [(1,4) (2,3)] on GaAsP, superlattices are direct band gap semiconductors, although all the m=n and m+n=3 superlattices are indirect band gap semiconductors. The squares of vertical transition matrix elements at the Γ point of (AlAs)m/(GaP)n are two orders of magnitude larger than those for (AlAs)m/(AlP)n, which are also combinations of indirect band gap semiconductors.
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