Defect formation energy and magnetic properties of off-stoichiometric Ni-Mn-In alloys by first-principles calculations

被引：22
|
作者：
Bai, J. [1 ,2 ,3 ]
Xu, N. [2 ,3 ]
Raulot, J. -M. [3 ,4 ]
Zhang, Y. D. [3 ,4 ]
Esling, C. [3 ,4 ]
Zhao, X. [2 ]
Zuo, L. [2 ]
机构：
[1] Northeastern Univ, Sch Resources & Mat, Qinhuangdao Branch, Qinhuangdao 066004, Peoples R China
[2] Northeastern Univ, Minist Educ, Key Lab Anisotropy & Texture Mat, Shenyang 110819, Peoples R China
[3] Univ Lorraine, Lab Etud Microstruct & Mecan Mat, CNRS LEM3, UMR 7239, F-57045 Metz, France
[4] Univ Lorraine, Lab Excellence Design Alloy Met Low Mass Struct D, F-57045 Metz, France
来源：
JOURNAL OF APPLIED PHYSICS | 2013年 / 113卷 / 17期
关键词：
PSEUDOPOTENTIALS; TRANSITION; FIELD;
D O I：
10.1063/1.4803139
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Ni-Mn-In is a novel type of magnetic shape memory alloy; it actualizes the shape memory effect through reverse martensitic transformation induced by magnetic field. But martensitic transformation cannot occur in the stoichiometric Ni2MnIn. Therefore, the composition adjustment must be carried out around stoichiometric Ni2MnIn in order to get the appropriate martensitic transformation temperature and Curie temperature. A variety of point defects would be generated during the process of composition adjustment. In this paper, the defect formation energies and the magnetic properties of the defect-introduced off-stoichiometric Ni-Mn-In alloys are systematically investigated. The results are particularly useful in guiding composition design. (C) 2013 AIP Publishing LLC.
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页数：6
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