Abstract Experimental (neutron and X-ray diffraction, Mossbauer spectroscopy, vibrating sample magnetometry) and theoretical (electronic structure calculations using self-consistent Korringa-Kohn-Rostoker Green's function method) studies were performed on a series of intermetallic σ-phase FeNiV compounds in systematic way. The replacement of iron by nickel was found to be the reason of a reduction in the size of the unit cell, moreover nickel atoms substitute for iron atoms on particular sites while vanadium occupations remain unchanged. Magnetic properties of the system quickly disappear with increase in nickel content. Hyperfine parameters determined on the basis of electronic structure calculations agree reasonably well with the values obtained on the basis of analysis of the Mossbauer spectra.

中文翻译：

---

FeNiV系统中σ相的结构和磁性

摘要 对一系列金属间 σ 相 FeNiV 化合物进行了实验（中子和 X 射线衍射、穆斯堡尔光谱、振动样品磁力测定）和理论（使用自洽 Korringa-Kohn-Rostoker Green 函数方法进行电子结构计算）研究。系统的方式。发现用镍代替铁是晶胞尺寸减小的原因，此外镍原子在特定位置代替铁原子而钒的占有量保持不变。系统的磁性随着镍含量的增加而迅速消失。基于电子结构计算确定的超精细参数与基于穆斯堡尔谱分析获得的值相当吻合。