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 Mn 2 Au. 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 Mn 2 Au 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 Mn 2 Au ( m Mn ) is given up to tenth order series in, 1/ k B T . The Neel temperature T N is obtained by HTSEs combined with the Pade approximant method. The critical exponent associated with the magnetic susceptibility is deduced as well.