Electronic and magnetic structures of FeSn compound investigated by first principle, mean field and series expansions calculations

Abstract

Self-consistent ab initio calculations, based on the DFT (Density Functional Theory) approach and using the FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the FeSn compounds. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Fe planes. The antiferromagnetic and ferromagnetic energies of FeSn systems are estimated. Magnetic moments considered to lie along (010) axes are computed. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters.