The effect of the spin-orbit interaction on the band gap of half-metals
Ph. Mavropoulos, K. Sato, R. Zeller, P. H. Dederichs, V. Popescu, H. Ebert
Abstract
The spin-orbit interaction can cause a nonvanishing density of states (DOS) within the minority-spin band gap of half-metals around the Fermi level. We examine the magnitude of the effect in Heusler alloys, zinc-blende half metals and diluted magnetic semiconductors, using first-principles calculations. We find that the ratio of spin-down to spin-up DOS at the Fermi level can range from below 1% (e.g. 0.5% for NiMnSb) over several percents (4.2% for (Ga,Mn)As) to 13% for MnBi.
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