Antiferromagnetic spintronics of Mn2Au: An experiment, first principle, mean field and series expansions calculations study

Abstract

The self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the Mn2Au. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Mn plans. Magnetic moment considered to lie along (110) 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. The exchange interactions between the magnetic atoms Mn–Mn in Mn2Au are given by using the experiment results and the mean field theory. The High Temperature Series Expansions (HTSEs) of the magnetic susceptibility with the magnetic moments in Mn2Au (mMn) is given up to tenth order series in, 1/kBT. The Néel temperature TN is obtained by HTSEs combined with the Padé approximant method. The critical exponent associated with the magnetic susceptibility is deduced as well.