Electronic and Magnetic Theoretical Investigation of Antiferromagnetically ErRh Layers

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 ErRh layers. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two sites of Er atoms. Magnetic moments considered to lie along axes are computed. The data obtained from the ab-initio calculations are then used as input for the high-temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The exchange integrals between the magnetic atoms in the same sites are given by using mean field theory. The HTSEs of the magnetic susceptibility of ErRh antiferromagnetic spin-S through two model: Heisenberg and XY for ErRh layers, are studied to sixth order series in β=1/k B T. The critical exponent γ associated with the magnetic susceptibility is deduced for the two models.