Magnetism and electronic structure for RMn2 (R=Y and lanthanoids) with the cubic Laves phase (C15) structure

Abstract Ab initio calculations for the electronic structure are carried out by means of LMTO-ASA with and without the GGA correction. The observed antiferromagnetic state with complicated spin configuration has slightly higher energy than that with the layered spin configuration near the observed volume and slightly lower than that for larger volume. In ferromagnetic configuration, Mn moment shows complicated dependence on volume and magnetic field.