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Multilayers of Zinc-Blende Half-Metals with Semiconductors

Ph. Mavropoulos·I. Galanakis·P. H. Dederichs
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Abstract

We report on first-principles calculations of 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 tetragonalised 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. At the interfaces with semiconductors, we describe a mechanism that can give also a non-integer spin moment per interface transition atom, and derive a simple rule to evaluate it.

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Ph. Mavropoulos, I. Galanakis, P. H. Dederichs. 2004-03-26. Multilayers of Zinc-Blende Half-Metals with Semiconductors. https://doi.org/10.1088/0953-8984%2F16%2F24%2F008

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