Electronic and Magnetic Properties of Ru2FeSi1−xGex Alloys in B2 Structure: a First-Principle Study

被引：0
作者：
S. Belhachi
机构：
[1] Université Djillali Liabès de Sidi Bel-Abbés,Laboratoire de Modélisation et Simulation en Sciences des Matériaux
来源：
Journal of Superconductivity and Novel Magnetism | 2018年 / 31卷
关键词：
Ru; FeSi; Ge; GGA; B2 phase; Metallic;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
In this letter, structural, electronic structure, and magnetic properties of Ru2FeSi1−xGex were analyzed for the first time in the stable B2 phase by using the first-principle calculation. The exchange and correlation potentials are described by using generalized gradient approximations (GGA) The B2 structure is found to be energetically more favorable than the L21 structure. It was found that the lattice parameters increase linearly with increasing x. For all the range studied, the Ru2FeSi1−xGex alloys exhibit a metallic character. The origin of magnetic moment is due to the exchange splitting of Fe-d states, and the atomic magnetic moment of the present material originates mainly from Fe atom.
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页码：1155 / 1159
页数：4
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