Electronic structure and magnetism of the Heusler alloy Mn2NiAl: A theoretical study of the shape-memory behavior

被引：54

作者：

Luo, Hongzhi ^{[1
,2
]}

Liu, Guodong ^{[1
]}

Meng, Fanbin ^{[1
]}

Li, Shijie ^{[1
]}

Zhu, Wei ^{[2
]}

Wu, Guangheng ^{[2
]}

Zhu, Xiaoxi ^{[3
]}

Jiang, Chengbao ^{[3
]}

机构：

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

[2] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China

[3] Beijing Univ Aeronaut & Astronaut, Sch Mat Sci & Engn, Beijing 100083, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2010年 / 405卷 / 15期

基金：

中国国家自然科学基金;

关键词：

Heusler alloy; Band structure; Martensitic transformation; TRANSITION; NI2MNGA; MN; NI;

D O I：

10.1016/j.physb.2010.04.022

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure and magnetism of the Heusler alloy Mn2NiAl have been studied by first-principles calculations. It is found that the phase transformation from the cubic to the tetragonal structure lowers the total energy, indicating that the martensitic phase is more stable and that a phase transition from austenite to martensite may happen at a lower temperature. Thus, ferromagnetic shape memory effect can be expected to occur in Mn2NiAl or in alloys of similar composition. Mn2NiAl is a ferrimagnet in both the austenitic and martensitic phases. The total spin moments are 1.48 and 1.14 mu B/f.u. for the austenite and martensite, respectively. Because the contribution of Ni to the total moment is small, the total moment is mainly determined by the antiparallel aligned Mn(A) and Mn(B) spin moments. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：3092 / 3095

页数：4

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