Electronic, Magnetic, and Mechanical Properties of YX′CrZ (X′ = Fe, Co, Ni; Z = Si, Ge, Sn) Quaternary Heusler Alloys

被引：0
|
作者：
A. Amudhavalli
M. Santhosh
P. Dharmaraja
M. Manikandan
R. Rajeswara Palanichamy
机构：
[1] N.M.S.S.Vellaichamy Nadar College,Department of Physics
来源：
Journal of Superconductivity and Novel Magnetism | 2021年 / 34卷
关键词：
Ab initio calculations; Phase transition; Electronic structure; Mechanical properties; Magnetic properties;
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中图分类号：
学科分类号：
摘要：
In this paper, structural stability of YX′CrZ (X′ = Fe, Co, Ni; Z = Si, Ge, Sn) quaternary Heusler alloys are analysed. The structure stability is analysed among three different phases namely α, β, and γ phases of F-43m crystal structure. It is predicted that γ-phase is the lowest energy phase for YFeCrSi, YFeCrGe, YFeCrSn, YCoCrSi, YCoCrGe, YCoCrSn, YNiCrSi, and YNiCrSn and β-phase for YNiCrGe. The strong hybridization of the states of 3d-Fe, 3d-Co, and 3d-Ni observed in density of states plot leads to half metallicity in YX′CrZ (X′ = Fe, Co ; Z = Si, Ge, Sn) at normal pressure. All these quaternary alloys are ferromagnetic at normal pressure. These alloys are found to be mechanically stable.
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页码：3019 / 3036
页数：17
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