Exploration of magnetic shape memory alloys in Ga2MoX (X = Cr, Mn, Fe, Co, and Ni) systems: A first-principles study

被引：7

作者：

Wang, Ying ^{[1
]}

Yang, Xiong ^{[1
]}

Xue, Yanhong ^{[1
]}

Chen, Yifei ^{[1
]}

机构：

[1] Civil Aviat Univ China, Coll Sci, Tianjin 300300, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2018年 / 124卷 / 08期

关键词：

ELECTRONIC-STRUCTURE; PHASE-TRANSITION; AB-INITIO; STABILITY; GA;

D O I：

10.1063/1.5037488

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

To investigate the possibility of the existence of magnetic shape memory alloys in Ga2MoX (X = Cr, Mn, Fe, Co, and Ni) systems, we study the structural, magnetic, electronic, and mechanical properties of the alloys by performing first-principles calculations. Four new magnetic shape memory alloys, Ga2MoX (X = Cr, Mn, Fe, and Co), are found with a martensitic phase as their ground state. The stability of the martensitic phase of Ga2MoX (X = Cr Mn, Fe, and Co) alloys is ascertained on the basis of the total energy difference, density of states, tetragonal shear modulus, and elastic anisotropy ratio. Our study shows that Ga2MoX (X = Cr, Mn, and Fe) have higher martensitic start temperatures and lower brittleness in comparison to the well-known material Ni2MnGa. Published by AIP Publishing.

引用

页数：6

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