Can a half-metallic zincblende-type structure be stabilized via epitaxy?
Abstract
The need for spin-injectors having the same zincblende-type crystal structure as conventional semiconductor substrates has created significant interests in theoretical predictions of possible metastable ``half-metallic'' zincblende ferromagnets, which are normally more stable in other structure-types, e.g., NiAs. Such predictions were based in the past on differences in the total-energies of the respective {\em bulk} crystal forms (zincblende and NiAs). We show here that the appropriate criterion is comparing difference in {\em epitaxial} total-energies. This reveals that even if is small, still for MnAs, CrSb, CrAs, CrTe, for all substrate lattice constant , so the zincblende phase is not stabilized. For CrS we find , but the system is antiferromagnetic, thus not half-metallic. Finally, zincblende CrSe is predicted to be epitaxially stable for \AA\ and half-metallic.
Cite
@article{arxiv.cond-mat/0408707,
title = {Can a half-metallic zincblende-type structure be stabilized via epitaxy?},
author = {Yu-Jun Zhao and Alex Zunger},
journal= {arXiv preprint arXiv:cond-mat/0408707},
year = {2007}
}
Comments
5 pages, 1 figures