Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 16, Issue 24, Pages 4261-4272Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/16/24/008
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We report on first-principles calculations for multilayers of zinc-blende half-metallic ferromagnets CrAs and CrSb with III-V and II-VI semiconductors, in the [001] orientation. We examine the ideal and tetragonalized structures, as well as the case of an intermixed interface. We find that, as a rule, half-metallicity can be conserved throughout the heterostructures, provided that the character of the local coordination and bonding is not disturbed. We describe a mechanism operative at the interfaces with semiconductors that can also give a non-integer spin moment per interface transition atom, and derive a simple rule for evaluating it.
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