Structural, Electronic, Magnetic, and Mechanical Properties of Co_{2-<italic>x</italic>}V_{<italic>x</italic>}FeSi Heusler Alloys

The influence of V substitution for Co on the structural, electronic, magnetic, and mechanical properties of quaternary Heusler alloys Co2−x VxFeSi (x = 0, 0.25, 0.50, 0.75, and 1) has been systematically investigated. The microstructural and the scanning profile using energy-dispersive X-ray analysis suggests the single-phase behavior in all alloys except for x = 1. The X-ray diffraction analysis at room temperature reveals the L21 crystal structure promoting lattice expansion after V substitution. The low-temperature saturation magnetic moments, as determined from magnetization measurements, agree fairly well with our theoretical results and also obey the Slater–Pauling rule. Very high Curie temperature is also observed. The alloys are mechanically robust. First-principles calculation with the implementation of a Hubbard correction term (U) is observed to predict half-metallic behavior.

系统地研究了V替代Co对四元Heusler合金Co₂₋ₓVₓFeSi（x = 0、0.25、0.50、0.75和1）的结构、电子、磁性和力学性能的影响。利用能谱X射线分析得到的微观结构和扫描图谱表明，除x = 1外，所有合金都呈现单相行为。室温下的X射线衍射分析显示，V替代后形成L21晶体结构，促进了晶格膨胀。由磁化测量确定的低温饱和磁矩与我们的理论结果相当吻合，并且也符合斯莱特 - 泡林规则。还观察到非常高的居里温度。这些合金具有良好的力学性能。观察到采用哈伯德校正项（U）的第一性原理计算可预测半金属特性。