Phase Stability and Magnetic Properties of Mn3Z (Z = Al, Ga, In, Tl, Ge, Sn, Pb) Heusler Alloys

被引：16
|
作者：
Zhang, Haopeng [1 ]
Liu, Wenbin [1 ]
Lin, Tingting [1 ,2 ]
Wang, Wenhong [3 ]
Liu, Guodong [1 ]
机构：
[1] Chongqing Normal Univ, Sch Phys & Elect Engn, Chongqing 400044, Peoples R China
[2] Tech Univ Darmstadt, Inst Mat Sci, D-64287 Darmstadt, Germany
[3] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China
来源：
APPLIED SCIENCES-BASEL | 2019年 / 9卷 / 05期
关键词：
phase stability; magnetic properties; covalent hybridization; COERCIVITY;
D O I：
10.3390/app9050964
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The structural stability and magnetic properties of the cubic and tetragonal phases of Mn(3)Z (Z = Ga, In, Tl, Ge, Sn, Pb) Heusler alloys are studied by using first-principles calculations. It is found that with the increasing of the atomic radius of Z atom, the more stable phase varies from the cubic to the tetragonal structure. With increasing tetragonal distortion, the magnetic moments of Mn (A/C and B) atoms change in a regular way, which can be traced back to the change of the relative distance and the covalent hybridization between the atoms.
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页数：9
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