Abstract
Experimental (neutron and X-ray diffraction, Mössbauer 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 Mössbauer spectra.
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