Ab initio prediction of conduction band spin splitting in zinc blende semiconductors |
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Authors: | Chantis Athanasios N van Schilfgaarde Mark Kotani Takao |
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Affiliation: | Arizona State University, Tempe, Arizona 85287, USA. |
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Abstract: | 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. |
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