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 ΔE c and ΔE v for the conduction and valence bands between two polytypes. The alignment of the band structures is based on the branch-point energy E BP 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.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Aug 27 2012|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics