Electronic structure, magnetic and optical properties of Fe2MnGa Heusler alloy

被引：53
|
作者：
Kudryavtsev, Y. V. [1 ]
Uvarov, N. V. [1 ]
Iermolenko, V. N. [1 ]
Glavatskyy, I. N. [1 ,2 ]
Dubowik, J. [3 ]
机构：
[1] Natl Acad Sci Ukraine, Inst Met Phys, UA-252680 Kiev 142, Ukraine
[2] Helmholtz Ctr Berlin Mat & Energy, D-14109 Berlin, Germany
[3] Polish Acad Sci, Inst Mol Phys, PL-60179 Poznan, Poland
来源：
ACTA MATERIALIA | 2012年 / 60卷 / 12期
关键词：
Phase stability; Electronic structure; Magnetic properties; Optical properties; PHASE;
D O I：
10.1016/j.actamat.2012.05.031
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The article describes the electronic structure, magnetic and optical properties of bulk Fe2MnGa Heusler alloy. It is shown that unlike most stoichiometric full-Heusler alloys, the bulk Fe2MnGa crystallizes into the face-centered cubic (fcc) lattice of L1(2) (Cu3Au)-type ordering, with a Curie temperature of 800 K, with small admixture of B-2-phase. The magnetic and optical properties of Fe2MnGa Heusler alloy are discussed in terms of energy band calculations for ordered fcc and L2(1)-type structure. According to the results of our first-principles calculations, the full electron energy of ferromagnetic metallic fcc phase (mu(fcc) = 6.11 mu(B)f.u.(-1)) is lower by about 0.06 meV (0.69 K) than that of ferrimagnetic half-metallic phase with L2(1) structure (mu(L21) = 2.036 mu(B)f.u.(-1)). (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码：4780 / 4786
页数：7
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