Possible Martensitic Transformation in Heusler Alloy Pt$_{2}$MnSn from First Principles
Lin Feng1** , Chen-Chen Guo1 , Xue-Ying Zhang1 , Hai-Cheng Xuan1 , Wen-Hong Wang2 , En-Ke Liu2 , Guang-Heng Wu2
1 Department of Physics, Taiyuan University of Technology, Shanxi 0300242 State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190
Abstract ：Using density functional theory calculations, we investigate the tetragonal distortion, electronic structure and magnetic property of Pt$_{2}$MnSn. 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 meV/f.u. Thus from the point of view of thermodynamics, martensitic transformation may occur in Pt$_{2}$MnSn with decreasing the temperature. The electronic structure of its cubic and martensitic phases also approves this. Moreover, both the cubic and tetragonal phases of Pt$_{2}$MnSn are ferromagnetic structures and their total magnetic moments are 4.26 $\mu_{_{\rm B}}$ and 4.12 $\mu_{_{\rm B}}$, respectively.
收稿日期: 2017-09-25
出版日期: 2018-02-25
:
81.30.Kf
(Martensitic transformations)
71.15.Mb
(Density functional theory, local density approximation, gradient and other corrections)
74.20.Pq
(Electronic structure calculations)
75.50.-y
(Studies of specific magnetic materials)
引用本文:
. [J]. 中国物理快报, 2018, 35(3): 38101-.
链接本文:
https://cpl.iphy.ac.cn/CN/10.1088/0256-307X/35/3/038101
或
https://cpl.iphy.ac.cn/CN/Y2018/V35/I3/38101
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2018, Vol. 35 
