Possible Martensitic Transformation in Heusler Alloy Pt_2MnSn from First Principles  

作　　者：冯琳 郭辰辰 张雪颖 轩海成 王文洪 刘恩克 吴光恒 

机构地区：[1]Department of Physics, Taiyuan University of Technology [2]State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics,Institute of Physics, Chinese Academy of Sciences

出　　处：《Chinese Physics Letters》2018年第3期97-100,共4页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China under Grant Nos 51301119,51301195,51171206 and 51401140;the National Science Foundation for Young Scientists of Shanxi Province under Grant No 2013021010-1;the Youth Foundation of Taiyuan University of Technology under Grant No 1205-04020102

摘　　要：Using density functional theory calculations, we investigate the tetragonal distortion, electronic structure and magnetic property of Pt2MnSn. The results indicate that, when the volume-conserving tetragonal distortion occurs, the energy minimum appears at c/a = 0.84, and the energy difference between the minimum and cubic phase is as high as 107 me V/f. u. Thus from the point of view of thermodynamics, martensitie transformation may occur in Pt2MnSn with decreasing the temperature. The electronic structure of its cubic and martensitic phases also approves this. Moreover, both the cubic and tetragonal phases of Pt2MnSn are ferromagnetic structures and their total magnetic moments are 4.26 μB and 4.12 μB, respectively.Using density functional theory calculations, we investigate the tetragonal distortion, electronic structure and magnetic property of Pt2MnSn. The results indicate that, when the volume-conserving tetragonal distortion occurs, the energy minimum appears at c/a = 0.84, and the energy difference between the minimum and cubic phase is as high as 107 me V/f. u. Thus from the point of view of thermodynamics, martensitie transformation may occur in Pt2MnSn with decreasing the temperature. The electronic structure of its cubic and martensitic phases also approves this. Moreover, both the cubic and tetragonal phases of Pt2MnSn are ferromagnetic structures and their total magnetic moments are 4.26 μB and 4.12 μB, respectively.

关 键 词：PT Possible Martensitic Transformation in Heusler Alloy Pt2MnSn from First Principles MN SN 

分 类 号：TG139.6[一般工业技术—材料科学与工程]