Affiliation of Author(s):材料科学与工程学院
Teaching and Research Group:材料科学与工程学院
Journal:Journal of Solid State Chemistry
Funded by:“９７３”计划
Key Words:Mn2FeAs full-Heusler alloy, Ferrimagnetic, Half-metallic
Abstract: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.
First Author:戚三涛
Volume:225
Page Number:1
Number of Words:1
Translation or Not:no