Structural, Elastic, Electronic, and Ferromagnetic Properties of the Alloys Ga1/2Cr1/2As

被引：0
作者：
Boudali, Abdelkader [1 ]
Mostefa, Zemouli [1 ]
Saadaoui, Fatiha [1 ]
Khodja, Mohamed Dris [1 ]
机构：
[1] Univ Saida, Lab Physicochem Studies, Saida, Algeria
来源：
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2016年 / 29卷 / 09期
关键词：
FP-LAPW; Elastic constants; Ferromagnetism;
D O I：
10.1007/s10948-016-3543-x
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We have calculated the electronic structure and magnetic properties of the alloys Ga1/2Cr1/2As compound, using the full-potential linearized augmented plane-wave (FLAPW) method based on density functional theory (DFT). Spin-polarized calculations show that the Ga1/2Cr1/2 compound is half-metallic ferromagnetic with a magnetic moment of 3.00 mu (B) at the equilibrium lattice constants. The half-metallic character is confirmed by the integral total magnetic moment of 3.00 mu (B) per unit cell. The results presented here are theoretical predictions that can be used in magnetic applications.
引用
收藏
页码：2337 / 2343
页数：7
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