Multilayers of Zinc-Blende Half-Metals with Semiconductors

Details Multilayers of Zinc-Blende Half-Metals with Semiconductors Multilayers of Zinc-Blende Half-Metals with Semiconductors

2004-03-26

arxiv.org/abs/cond-mat/0403650v1

J. Phys.: Condens. Matter 16 No 24 (23 June 2004) 4261-4272

Physics

Condensed Matter

Materials Science

Scientific paper

10.1088/0953-8984/16/24/008

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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