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所属单位：材料科学与工程学院

教研室：材料科学与工程学院

发表刊物：Journal of Solid State Chemistry

项目来源：“９７３”计划

关键字：Mn2FeAs full-Heusler alloy, Ferrimagnetic, Half-metallic

摘要：Mn-based full-Heusler alloys are kinds of promising candidates for new half-metallic materials. Basing on first principles,the electronic structures and magnetic properties of the Mn2FeAs full-Heusler alloy have been investigated in detail. The Hg2CuTi-type Mn2FeAs compound obeys the Slater-Pauling rule,while the anti-parallel alignment atomicmagnetic moments of Mn locating at different sites indicate it a ferrimagnetic alloy.The calculated spin-down bands behave half-metallic character,exhibiting a direct gap of 0.46eV with a 100% spin polarization at the Fermi level. More studies show the compound would maintain half-metallic nature in a large range of variational lattice constants. We expect that our calculated results may trigger Mn2FeAs applying in the future spintronics field.

第一作者：戚三涛

卷号：225

页面范围：1

字数：1

是否译文：否