Electronic band structure of monolayer thin semiconductor superlattices

Abstract

Using the norm-conserving non-local pseudopotentials and the local density approximation, we have calculated the electronic band structure of monolayer thin superlattices (GaAs) 1(AlAs) 1(110), (GaAs) 1(ZnSe) 1(110), and (AlAs) 1(lnAs) 1(111) and (110). It is shown that the band structures of these superlattices, which strongly depend on internal charge redistribution as well as bond length relaxations, are significantly different from the band structures of the host materials. Results for superlattice stability, optical bowing in the band gap, and superlattice features in the electronic band structure are presented.