Site preference and tetragonal distortion of Heusler alloy Mn-Ni-V

被引：27

作者：

Tan, J. G. ^{[1
]}

Liu, Z. H. ^{[1
]}

Zhang, Y. J. ^{[1
]}

Li, G. T. ^{[1
]}

Zhang, H. G. ^{[2
]}

Liu, G. D. ^{[3
]}

Ma, X. Q. ^{[1
]}

机构：

[1] Univ Sci & Technol Beijing, Dept Phys, Beijing 100083, Peoples R China

[2] Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

[3] Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China

来源：

RESULTS IN PHYSICS | 2019年 / 12卷

基金：

中国国家自然科学基金; 北京市自然科学基金;

关键词：

d-Metal Heusler alloys; Tetragonal Heusler; Electronic structure; ELECTRONIC-STRUCTURE; OPTICAL-PROPERTIES; TRANSFORMATIONS; TRANSITION; GA; AL; CO;

D O I：

10.1016/j.rinp.2018.12.096

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Site preference, tetragonal distortion and phase stability of all d-metal Heusler alloys Mn2-xNi1.5+xV0.5 (x = 0, 0.5, 1), Mn2-xNi1+xV (x = 0, 0.25, 0.5, 0.75, 1) and Mn2-xNi0.5+xV1.5 (x = 0, 0.5, 1, 1.5) are investigated. It has been found that Ni2MnV is stable in Hg2CuTi-type Heusler structure, while Mn2NiV tends to crystallize into Cu2MnAl-type Heusler structure. Mn atoms in both Ni-rich and Mn-rich Mn-Ni-V alloys preferentially occupy A, C sites, suggesting that the site occupation in Mn-Ni-V ternary alloy is not following the conventional site preference rule. A potential tetragonal distortion is expected in cubic structure of Ni-rich alloys MnNi2V, Mn1.25Ni1.75V, MnNi2.5V0.5 and Mn0.5Ni2V1.5. It is found that the tetragonal distortion is mainly attributed to the decrease of intensity for DOS at the Fermi level in the minority spin direction which is caused by the splitting of peaks. This study will guide us to design new tetragonal Heusler materials for spintronic devices.

引用

页码：1182 / 1189

页数：8

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