Journal
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
Volume 270, Issue 1-2, Pages 32-37Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0304-8853(03)00659-0
Keywords
electronic band structure; half-metallic ferromagnet; zinc blende
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The first-principle calculation within density-functional theory is used to investigate zinc-blende structured MPo (M = V, Cr, and Mn). Our calculation indicates that the ZB-type VPo, and CrPo are of true half-metallic ferromagnets (HFMs) whereas the ZB MnPo a nearly HFM. The half-metallicity of ZB VPo and CrPo can be maintained Within a relatively wide range of lattice constants (by 13% and 12% for ZB VPo and CrPo, respectively). (C) 2003 Elsevier B.V. All rights reserved.
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