Ab initio prediction of conduction band spin splitting in zinc blende semiconductors.
We use a recently developed self-consistent GW approximation to present systematic ab initio calculations of the conduction band spin splitting in III-V and II-VI zinc blende semiconductors. The spin-orbit interaction is taken into account as a perturbation to the scalar relativistic Hamiltonian. These are the first calculations of conduction band spin splittings based on a quasiparticle approach; and because the self-consistent GW scheme accurately reproduces the relevant band parameters, it is expected to be a reliable predictor of spin splittings. The results are compared to the few available experimental data and a previous calculation based on a model one-particle potential. We also briefly address the widely used k x p parametrization in the context of these results.
Chantis
Athanasios N
AN
Arizona State University, Tempe, Arizona 85287, USA.
van Schilfgaarde
Mark
M
Kotani
Takao
T