While non-nitride III-V semiconductors typically have a zincblende structure, they may also form wurtzite crystals under pressure or when grown as nanowhiskers. This makes electronic structure calculation difficult since the band structures of wurtzite III-V semiconductors are poorly characterized. We have calculated the electronic band structure for nine III-V semiconductors in the wurtzite phase using transferable empirical pseudopotentials including spin-orbit coupling. We find that all the materials have direct gaps. Our results differ significantly from earlier {\it ab initio} calculations, and where experimental results are available (InP, InAs and GaAs) our calculated band gaps are in good agreement. We tabulate energies, effective masses, and linear and cubic Dresselhaus zero-field spin-splitting coefficients for the zone-center states. The large zero-field spin-splitting coefficients we find may lead to new functionalities for designing devices that manipulate spin degrees of freedom.
@article{arxiv.0908.1984,
title = {Predicted band structures of III-V semiconductors in wurtzite phase},
author = {Amrit De and Craig E. Pryor},
journal= {arXiv preprint arXiv:0908.1984},
year = {2013}
}