First-principles investigation of magnetic properties and metamagnetic transition of NiCoMnZ(Z = In, Sn, Sb) Heusler alloys

被引：20
|
作者：
He, W. Q. [1 ]
Huang, H. B. [1 ]
Liu, Z. H. [1 ]
Ma, X. Q. [1 ,2 ]
机构：
[1] Univ Sci & Technol Beijing, Dept Phys, Beijing 100083, Peoples R China
[2] Weak Magnet Detect & Applicat Engn Ctr Beijing, Beijing 100083, Peoples R China
来源：
INTERMETALLICS | 2017年 / 90卷
基金：
中国国家自然科学基金;
关键词：
Metamagnetic transition; Heusler alloys; First-principles calculations; Magnetic properties; SHAPE-MEMORY ALLOYS; PLANE-WAVE; TRANSFORMATIONS; METALS;
D O I：
10.1016/j.intermet.2017.07.012
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We employed the density functional theory to investigate the structural, magnetic properties and metamagnetic transition on Mn and Co doped-Ni(2)MnZ (Z = In, Sn, Sb) Hensler alloys. The calculated formation energy indicates that excess Mn and Co prefer to occupy Z and Ni sites, respectively. The energy difference between austenite and martensite phases exhibits a monotonic increase with Mn doping, and a decrease with Co doping, which are consistent with the trend of experimental martensitic transformation temperature. The evaluated magnetic exchange parameters show a strong dependence on Z element, which can be explained by the super exchange interaction mediated by Z sp states near the Fermi level. Bond analysis of martensite phase reveals that the strength of Mn Sb bond is stronger than that of Mn In and Mn Sn bond and it explains the larger driving magnetic field in NiMnSb than NiMnZ(Z = In, Sn) is need for metamagnetic phase transformation. In addition, we predict NiCoMnZ (Z = Sn, Sb) alloys require a smaller compressive epitaxial strain for metamagnetic transition than NiCoMnIn alloys.
引用
收藏
页码：140 / 146
页数：7
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