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Magnetic States of the Ni1.75Co0.25Mn1.25Cr0.25In0.5 Heusler Alloy

机译:Ni 1.75 Co 0.25 Mn 1.25 Cr 0.25 In 0.5 Heusler的磁态合金

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The equilibrium magnetic and structural reference states of Co- and Cr-doped NiMnIn Heusler alloy are investigated by means of the first-principles method using a supercell approach. Three different ferrimagnetic and one ferromagnetic (FM) spin configurations, as well as two supercells with different distributions of excess Mn and In atoms, were considered. It is found that for supercell #1, the FM spin state in austenite is stable, where the martensite with different spin configurations is unstable, while in the case of supercell #2, a ferrimagnetic configuration for both austenite and martensite is favorable. The different trends for martensitic transformation were studied by calculations for the tetragonal and orthorombic distortions of supercells along the -axis and the -axis, showing martensitic variants for supercell #2 at a ratio and .
机译:钴和铬掺杂的NiMnIn Heusler合金的平衡磁性和结构参考态通过采用超级电池方法的第一原理方法研究。考虑了三种不同的亚铁磁性和一种铁磁性(FM)自旋构型,以及两个具有不同Mn和In原子分布的超级电池。发现对于超级电池#1,奥氏体中的FM自旋状态是稳定的,其中具有不同自旋构型的马氏体是不稳定的,而对于超级电池#2的情况,奥氏体和马氏体两者的亚铁磁构型都是有利的。马氏体转变的不同趋势是通过计算超级电池沿-轴和-轴的四方和正交畸变而研究的,显示了#2超级电池的马氏体变体。

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