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Can half metallic zincblende MnAs be grown?

Stefano Sanvito·Nicola A. Hill
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Abstract

In this paper we investigate theoretically the ground state NiAs-type structure of MnAs and we compare the magnetic and structural properties with an hypothetical zincblende structure. A zincblende structure can be obtained, in principle, from the diluted magnetic semiconductor Ga$_{1-x}$Mn$_x$As in the limit $x=1$. Using density functional calculations within the local spin-density approximation (LSDA), we show that the zincblende structure, although showing half metallic behavior which is very attractive for spintronics, can not be stabilized at equilibrium. We perform a tight-binding analysis of the Mn-As bond in the tetrahedral coordination to investigate the nature of the bonding in diluted magnetic semiconductors.

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Stefano Sanvito, Nicola A. Hill. 2000-04-11. Can half metallic zincblende MnAs be grown?. https://doi.org/10.1103/physrevb.62.15553

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