Abstract
First-principles LMTO-ASA band calculations are performed for ferromagnetic Ga 1− x Mn x As ( x = 1, 1 4 , 1 8 ) by assuming supercell structures. The magnetic moment per formula is about 4 μ B, and the magnetic moment of As is antiparallel to the Mn moment, i.e. valence-band carriers with As 4p character interact antiferromagnetically with Mn spins. Further the band structures show half-metallic behavior and the results for x = 1 8 indicate that the antiparallel polarization of As site is confined rather in the vicinity of Mn site.
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