LAUSR

Abstract This work presents a theoretical study of magnetic properties for Fe 100 - x Ga x ( x  = 25, 28.125%) alloys in the framework of first-principles calculations and Monte Carlo simulations. In particular, the zero-temperature ground state properties, magnetocrystalline energy, and magnetic exchange coupling constants for both D0 3 and L1 2 structures are calculated. It is shown that for both structures, the magnetocrystalline anisotropy energy change the sign from positive to negative during tetragonal distortion from c / a 1 to c / a > 1 , respectively. Using the exchange interaction constants within Heisenberg model, the thermomagnetization curves and Curie temperatures for compositions studied are obtained. Calculated data are in a good agreement with experimental ones.