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：

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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。