ab initio modeling, Fe–V solid solutions, magnetic moments, solution enthalpy
Abstract
This paper considers the concentration dependences of the average magnetic moment of the Fe–V system and solution enthalpy as a function of the vanadium concentration from 1 to 10 at% for a disordered Fe–V solid solution in an orderly magnetic state using first-principle calculations of the electronic structure in the WIEN2k software package. The results are compared with data obtained using CALPHAD-models in previous studies. A conclusion about the prospects of finding a possible inversion of the short-range order in Fe–V alloys similar to the inversion in Fe–Cr systems has been made on this basis.
Author Biographies
Aleksandr Aminulaevich Mirzoev, South Ural State University, Chelyabinsk
Dr. Sc. (Physics and Mathematics), Professor, Physics of Nanoscale Systems Department
Анастасия Владимировна Верховых, South Ural State University, Chelyabinsk
Cand. Sc. (Physics and Mathematics), Professor, Physics of Nanoscale Systems Department
