Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667, Uttarakhand, India.
Department of Physics, Indian Institute of Technology Roorkee, Roorkee 247667, Uttarakhand, India.
J Phys Condens Matter. 2023 Apr 20;35(28). doi: 10.1088/1361-648X/accc68.
Spintronics is an emerging form of electronics based on the electrons' spin degree of freedom for which materials with robust half-metallic ferromagnet character are very attractive. Here we determine the structural stability, electronic, magnetic, and mechanical properties of the half-Heusler (hH) compound CoFeGe, in particular also in its cubic form. The first-principles calculations suggest that the electronic structure is robust with 100% spin polarization at the Fermi level under hydrostatic pressure and uni-axial strain. Both the longitudinal and Hall current polarization are calculated and the longitudinal current polarization (PL) is found to be>99%and extremely robust under uniform pressure and uni-axial strain. The anomalous Hall conductivity and spin Hall conductivity of hH cubic CoFeGe (-CoFeGe) are found to be∼-100S cmand∼39 ℏ/eS cm, respectively. Moreover, the Curie temperature of the alloy is calculated to be ∼524 K with a 3μBmagnetic moment. Lastly, the calculated mechanical properties indicate that-CoFeGe is ductile and mechanically stable with a bulk modulus of ≈154 GPa. Overall, this analysis reveals that cubic CoFeGe is a robust half-metallic ferromagnet and an interesting material for spintronic applications.
自旋电子学是一种新兴的电子学形式，基于电子的自旋自由度，对于具有稳健的半金属铁磁特性的材料非常有吸引力。在这里，我们确定了半赫斯勒（hH）化合物 CoFeGe 的结构稳定性、电子、磁性和机械性能，特别是其立方形式。第一性原理计算表明，在静水压力和单轴应变下，电子结构在费米能级处具有 100%的自旋极化，非常稳定。我们计算了纵向和霍尔电流极化，发现纵向电流极化（PL）在均匀压力和单轴应变下>99%，非常稳定。hH 立方 CoFeGe（-CoFeGe）的反常霍尔电导率和自旋霍尔电导率分别约为-100 S/cm 和 39 ℏ/eS/cm。此外，合金的居里温度计算为 ∼524 K，具有 3μB 的磁矩。最后，计算的力学性能表明，-CoFeGe 具有延性和机械稳定性，体弹性模量约为 154 GPa。总的来说，这项分析表明，立方 CoFeGe 是一种稳健的半金属铁磁体，是自旋电子学应用的有趣材料。
