第一性原理在Ni_2MnGa合金研究中的应用  

Application of First-Principles in the Study of Ni_2MnGa Alloy

作　　者：张敏刚[1] 孙娜[1] 郭艳萍[1] 张馨[1] 陈峰华[1] 

机构地区：[1]太原科技大学,山西太原030024

出　　处：《稀有金属材料与工程》2017年第3期864-868,共5页Rare Metal Materials and Engineering

基　　金：教育部高等学校博士学科点专项科研基金(20101415110003);山西省回国留学人员科研资助项目(2013-098);山西省自然科学基金(2008011042-2)

摘　　要：具有铁磁性形状记忆效应的Heusler合金Ni_2MnGa颇具发展潜力,在新型智能材料的研究中备受关注。本文综述了第一性原理在Ni_2MnGa合金的四方变形、声子软化和磁性能等方面的研究进展,Ni、Ti和Co等掺杂元素在Ni_2MnGa合金中的最优占位及其对电子结构、马氏体转变温度TM和居里温度TC的影响。The Heusler alloy Ni2MnGa has attracted much attention in the research of new intelligent materials for its ferromagnetic shape memory effect and application potential. In the present paper, the research progresses of the tetragonal distortions, phonon softening, magnetic properties and other aspects in Ni2MnGa alloys which were calculated by first-principles method were summarized; at the same time, we discussed the site preference of Ni, Ti, Co doping elements in Ni2MnGa alloy and the influences of the doping elements on the electronic structure, martensitic transformation temperature TM and the Curie temperature TC.

关 键 词：HEUSLER合金 NI2MNGA 第一性原理 马氏体相变 

分 类 号：TG139.6[一般工业技术—材料科学与工程]