Theoretical investigation of electronic and magnetic properties of HoRh layers

Self-consistent ab initio calculations, based on Density Functional Theory (DFT) approach and using Full potential Linear Augmented Plane Wave (FLAPW) method, are performed to investigate both electronic and magnetic properties of the HoRh layers. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two sites of Ho. Magnetic moment considered to lie along (001) 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 HoRh layers spin-S through the Ising model for HoRh layers, are studied to tenth order series in β=1/kBT. The critical exponent γ associated with the magnetic susceptibility is deduced for two models. - Highlights: • Ab initio calculations is using to investigate both electronic and magnetic properties of the HoRh layers. • Obtained data from ab initio calculations are used as input for the HTSEs. • The Néel temperature is obtained for HoRh layers