Abstract
Coherently strained GaX/InX interfaces (X=P, Sb) lattice matched to a (001)-oriented substrate are predicted to have a type-I band-gap alignment, with both the valence-band maximum and the conduction-band minimum (CBM) located on the In-rich material. At the same time, the CBM wave function of short-period (GaX${)}_{\mathit{n}}$/(InX${)}_{\mathit{n}}$ superlattices is predicted to have larger amplitude on the GaX layers, leading to a type-II alignment. We show that (i) a type-II\ensuremath{\rightarrow}type-I transition occurs around the period n=4; (ii) this transition has a different origin with respect to the well-known case of GaAs/AlAs superlattices; (iii) the band structure of ultrathin superlattices cannot be explained in terms of a simple effective-mass theory; (iv) the wave-function localization in short-period superlattices is determined by the atomic orbital energies.
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