Electronic and Magnetic Structures of FeGe Compound Investigated by First Principle, Mean Field and Series Expansion Calculations

Abstract

The obtained data from ab initio calculations are used as an input for the high temperature series expansion (HTSE) calculations to compute other magnetic parameters. The exchange interactions between the magnetic Fe–Fe atoms in FeGe are obtained using the mean field theory. HTSEs of the magnetic susceptibility with the magnetic moments of Fe in FeGe (m Fe) through the Ising model are given up to 10th order series in the formula x = J 1(Fe–Fe)(K)/ k B T. The T N(K) is obtained. The critical exponent is established.