Relation between electronic structure and magnetic properties in transition metals

Abstract

Our recent theoretical results are summarized for the high-field or para-process spin susceptibility, bulk modulus, magnetovolume coupling constant, forced volume magnetostriction, magnetovolume enhancement factor, spontaneous volume magnetostriction and orbital magnetic susceptibility for ferromagnetic Fe and Ni in the local spin density approximation. The anomalous temperature variation of the lattice constant in Fe and Ni is discussed. The calculated values for the tetragonal elastic constants and paramagnetostriction for V, Cr, Nb and Mo in the local density approximation are compared with experiment. Our results for the temperature dependence of the paramagnetic susceptibility in a realistic itinerant electron model, which takes into account the effect of spin fluctuations, and for the orbital susceptibility of Fe, Co, Ni and of the paramagnetic cubic transition metals, are compared with experiment. It is concluded that the local density and local spin density approximations are not yet satisfactory, and that the effect of spin fluctuations is very important, not only in ferromagnetic transition metals, but also in paramagnetic transition metals.