STRUCTURAL AND MAGNETIC PROPERTIES OF HEUSLER ALLOYS Pd2MnZ (Z=Ga, Ge, As): AB INITIO STUDY

被引：5

作者：

Miroshkina, Olga ^{[1
]}

Zagrebin, Mikhail ^{[1
,2
]}

Sokolovskiy, Vladimir ^{[1
,3
]}

Buchelnikov, Vasiliy ^{[1
]}

机构：

[1] Chelyabinsk State Univ, Chelyabinsk 454001, Russia

[2] Natl Res South Ural State Univ, Chelyabinsk 454080, Russia

[3] Natl Univ Sci & Technol MIS&S, Moscow 119991, Russia

来源：

MOSCOW INTERNATIONAL SYMPOSIUM ON MAGNETISM (MISM 2017) | 2018年 / 185卷

基金：

俄罗斯科学基金会;

关键词：

D O I：

10.1051/epjconf/201818505007

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

In this work, we report results of ab initio and Monte Carlo investigations of structural and magnetic properties in a series of Hensler compositions Pd(2)MnZ (Z = Ga, Ge, As). It was found that for Pd2MnGa and Pd2MnAs, the stable martensitic state is realized on the contrast with Pd2MnGe. The equilibrium lattice parameters for the series of Pd(2)MnZ (Z = Ga, Ge, As) compounds increase with increasing the number of valence electrons per atom (e/a ratio). Having calculated total magnetic moments and magnetic exchange parameters from ab initio methods, the Curie temperature for Pd2Mn-based alloys has been estimated in the framework of Monte Carlo simulations of Heisenberg model.

引用

页数：4

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