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Phys. Rev. B 34, 2920–2922 (1986)

Spin-orbit splitting in semiconductors and insulators from the ab initio pseudopotential

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Mark S. Hybertsen and Steven G. Louie
Department of Physics, University of California, Berkeley, California 94720
Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

Received 28 April 1986; published in the issue dated 15 August 1986

In this Brief Report, we give the expressions required for using the vector (spin-orbit) part of the ab initio pseudopotential in a crystalline calculation. Inclusion of the spin-orbit interaction using the vector part of the pseudopotential in first order reproduces the measured spin-orbit splittings in Ge as well as the rare-gas solids and agrees with all-electron calculations.

© 1986 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.34.2920
DOI:
10.1103/PhysRevB.34.2920
PACS: