The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme, the LDA-1/2 method. The results are used to derive band offsets ΔEc and ΔEv for the conduction and valence bands between two polytypes. The alignment of the band structures is based on the branch-point energy EBP for each polytype. The aligned electronic structures are used to explain properties of heterocrystalline but homomaterial junctions. The gaps and offsets allow to discuss spectroscopic results obtained recently for such junctions in III-V nanowires.
@article{arxiv.1206.2209,
title = {Electronic bands of III-V semiconductor polytypes and their alignment},
author = {Abderrezak Belabbes and Christian Panse and Jürgen Furthmüller and Friedhelm Bechstedt},
journal= {arXiv preprint arXiv:1206.2209},
year = {2015}
}