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.
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页数：4
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