Abstract:

The formation of localized moments of impurities in simple-metal hosts is investigated in the case of an Mn solute atom in jellia with continuously varying density. The mean-field critical behaviour of the transition from a spin-polarized to a non-spin-polarized state of the impurity, which is deduced from self-consistent local-spin-density (LSD) functional calculations, is analysed assuming a Landau-type expansion of the energy. This analysis is illustrated and supported by constrained LSD functional calculations.