Ab Initio Prediction of Conduction Band Spin Splitting in Zinc Blende Semiconductors

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Athanasios N. Chantis, Mark van Schilfgaarde, and Takao Kotani
Arizona State University, Tempe, Arizona 85287, USA

See Also: Erratum

Received 10 August 2005; published 2 March 2006

Weuse a recently developed self-consistent GW approximation to present systematicab initio calculations of the conduction band spin splitting in III-Vand II-VI zinc blende semiconductors. The spin-orbit interaction is takeninto account as a perturbation to the scalar relativistic Hamiltonian.These are the first calculations of conduction band spin splittingsbased on a quasiparticle approach; and because the self-consistent GWscheme accurately reproduces the relevant band parameters, it is expectedto be a reliable predictor of spin splittings. The resultsare compared to the few available experimental data and aprevious calculation based on a model one-particle potential. We alsobriefly address the widely used k·p parametrization in the contextof these results.

URL:	http://link.aps.org/doi/10.1103/PhysRevLett.96.086405
DOI:	10.1103/PhysRevLett.96.086405
PACS:	71.70.Ej; 71.15.Qe; 71.15.Mb 71.70.Ej Spin–orbit coupling, Zeeman and Stark splitting, Jahn–Teller effect (condensed matter) 71.15.Qe Excited states: methodology (condensed matter electronic structure) 71.15.Mb Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure) YEAR: 2006
KEYWORDS:	k.p calculations, ab initio calculations, SCF calculations, III-V semiconductors, II-VI semiconductors, spin-orbit interactions, perturbation theory, quasiparticles

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Erratum

Erratum: Ab Initio Prediction of Conduction Band Spin Splitting in Zinc Blende Semiconductors [Phys. Rev. Lett. 96, 086405 (2006)]
A. N. Chantis, Mark van Schilfgaarde, and Takao Kotani
Phys. Rev. Lett. 97, 039903 (E) (2006)