4.5 Article

First principles study of structural, electronic and magnetic properties of Mn2CoAs

Journal

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
Volume 361, Issue -, Pages 132-136

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.jmmm.2014.02.064

Keywords

Magnetic material; Heusler compound; Spintronics; Ab initio calculation; Electronic structure

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We have performed first-principle calculations of the structural, electronic and magnetic properties of Mn2CoAs Heusler alloy, using full-potential linearized augmented plane wave (FP-LAPW) scheme within the GGA. Features such as the lattice constant, the bulk modulus and its pressure derivative are reported. The electronic band structures and density of states of the Mn2CoAs compound show that the spin-up electrons are metallic, but the spin-down bands have a gap of 0.48 eV, resulting in stable half-metallic ferrimagnetic behavior with a magnetic moment of 4.00 mu B. (C) 2014 Elsevier B.V. All rights reserved,

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