Study of electronic and magnetic properties of MnAg layers

Self-consistent ab initio calculations, based on the density functional theory (DFT) approach and using the full potential linear augmented planewave (FLAPW) method, are performed to investigate both electronic and magnetic properties of the MnAg layers. Polarised spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Mn layers. 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 expansion (HTSE) calculations to compute other magnetic parameters.