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Structural, Electronic, Magnetic Properties and Elastic Anisotropy of New Ferromagnetic Cu2CrZ (Z=Si and Ge) Full Heusler Alloys
SPIN ( IF 1.3 ) Pub Date : 2021-08-12 , DOI: 10.1142/s201032472150020x
L. Halis 1, 2 , H. M. A. Mazouz 3, 4 , K. Negadi 5 , A. Menad 1 , S. Hiadsi 6 , R. Baghdad 2 , M. Ferhat 1
Affiliation  

In this paper, we have performed a first-principles study to investigate the electronic structure, magnetic, mechanic and anisotropic elastic properties of Cu2CrZ (Z=Si and Ge) Full Heusler alloys. The study of these characteristics shows thermodynamic and mechanical stability with cubic symmetry in our compounds and they also have an anisotropic character. The ground-state parameters, i.e., lattice constant, the bulk modulus and the electronic structure are calculated using the full-potential linearized augmented plane wave (FP-LAPW) approach to the density functional theory (DFT) within the generalized gradient approximation (GGA+WC) for the exchange and correlation potential. The objective is to seek stable metallic ferromagnet materials.

中文翻译:

新型铁磁Cu2CrZ(Z=Si和Ge)全赫斯勒合金的结构、电子、磁性和弹性各向异性

在本文中,我们进行了第一性原理研究,以研究 Cu 2 CrZ(Z=Si 和 Ge)Full Heusler 合金的电子结构、磁性、力学和各向异性弹性性能。对这些特性的研究表明,我们的化合物具有立方对称性的热力学和机械稳定性,并且它们还具有各向异性特征。基态参数,即晶格常数、体积模量和电子结构是使用广义梯度近似 (GGA) 内的密度泛函理论 (DFT) 的全势线性增强平面波 (FP-LAPW) 方法计算的+WC) 表示交换和关联潜力。目标是寻找稳定的金属铁磁材料。
更新日期:2021-08-12
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