• Chinese Physics B
  • Vol. 29, Issue 8, (2020)
Yong Li1, Peng Xu2, Xiaoming Zhang3, Guodong Liu3, Enke Liu4、5, and Lingwei Li1、2、†
Author Affiliations
  • 1Institute of Advanced Magnetic Materials, School of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou 3002, China
  • 2Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110819, China
  • 3School of Materials Science and Engineering, Hebei University of Technology, Tianjin 0010, China
  • 4Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  • 5Songshan Lake Materials Laboratory, Dongguan 23808, China
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    DOI: 10.1088/1674-1056/ab9739 Cite this Article
    Yong Li, Peng Xu, Xiaoming Zhang, Guodong Liu, Enke Liu, Lingwei Li. Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd2MnTM (TM = Fe, Ni, Cu)[J]. Chinese Physics B, 2020, 29(8): Copy Citation Text show less

    Abstract

    The electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd2MnTM (TM = Fe, Ni, Cu) were investigated by the first-principles calculations based on density-functional theory. The results indicate that all three alloys are stabilized in the ferromagnetic L21-type structure. The total magnetic moments mainly come from Mn and Fe atoms for Cd2MnFe, whereas, only from Mn atoms for Cd2MnNi and Cd2MnCu. The magnetic moment at equilibrium lattice constant of Cd2MnFe (6.36 μB) is obviously larger than that of Cd2MnNi (3.95 μB) and Cd2MnCu (3.82 μB). The large negative energy differences (ΔE) between martensite and austenite in Cd2MnFe and Cd2MnNi under tetragonal distortion and different uniform strains indicate the possible occurrence of ferromagnetic martensitic transformation (FMMT). The minimum total energies in martensitic phase are located with the c/a ratios of 1.41 and 1.33 for Cd2MnFe and Cd2MnNi, respectively. The total moments in martensitic state still maintain large values compared with those in cubic state. The study is useful to find the new all-d-metal Heusler alloys with FMMT.
    Yong Li, Peng Xu, Xiaoming Zhang, Guodong Liu, Enke Liu, Lingwei Li. Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd2MnTM (TM = Fe, Ni, Cu)[J]. Chinese Physics B, 2020, 29(8):
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