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A DFT study of the equiatomic quaternary Heusler alloys ZnCdXMn (X=Pd, Ni or Pt)
Solid State Communications ( IF 2.1 ) Pub Date : 2021-03-29 , DOI: 10.1016/j.ssc.2021.114292
S. Idrissi , H. Labrim , S. Ziti , L. Bahmad

In this manuscript, we investigate the structural, electronic and magnetic properties of the quaternary Heusler alloys ZnCdXMn (X = Pd, Ni or Pt) by using the first-principle calculations. In fact, we explore the competing structure on the magnetic and electronic properties of the Zn-based equiatomic quaternary Heusler alloys ZnCdXMn (X = Pd, Ni or Pt) using the Ab-initio method. On the other hand, we have executed this method in order to determine not only the structural properties, but also the magnetic and the electronic properties of these alloys. The motivation of this work is to improve the competition between the austenitic and martensitic phases on the magnetic and electronic properties of the equiatomic quaternary Heusler Alloys ZnCdXMn (X = Pd, Ni or Pt), and their half-metallic behavior for the austenitic structure and 100% SP polarization. These alloys are useful in the spintronic devices uses.



中文翻译:

DFT研究等原子四元Heusler合金ZnCdXMn(X = Pd,Ni或Pt)

在本手稿中,我们使用第一原理计算方法研究了四元Heusler合金ZnCdXMn(X = Pd,Ni或Pt)的结构,电子和磁性。实际上,我们使用Ab-initio方法探索了基于Zn的等原子四元Heusler合金ZnCdXMn(X = Pd,Ni或Pt)的磁性和电子性质的竞争结构。另一方面,我们已经执行了此方法,以便不仅确定这些合金的结构特性,而且还确定它们的磁性和电子特性。这项工作的目的是改善奥氏体和马氏体相之间对等原子四元Heusler合金ZnCdXMn(X = Pd,Ni或Pt)的磁性和电子性能的竞争,以及它们对于奥氏体结构和100%SP极化的半金属行为。这些合金可用于自旋电子器件中。

更新日期:2021-04-01
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