Orbital and spin-orbit magnetic susceptibilities in face-centred cubic transition metals and noble metals

Abstract

The uniform unenhanced orbital and spin-orbit susceptibilities, chi O and XSO, respectively, in Ni, Pd and Pt are evaluated by taking numerical extrapolations to q=0 of previous expressions for the wavenumber (q)-dependent orbital and spin-orbit susceptibilities, chi O(q) and chi SO(q), respectively. The wavefunctions and energies required in these calculations are obtained from self-consistent relativistic APW band calculations in the relativistic local-density approximation. From a study of trends in chi O and chi SO with the number of conduction electrons per atom ratio for FCC 3d, 4d and 5d metal series, chi O and chi SO in Rh, Ir, Cu, Ag and Au are estimated in the rigid-band assumption with reasonable corrections. For all these metals, the values of chi O+ chi SO show good agreement with empirical values. By using previously reported theoretical values of the enhanced spin susceptibility Ichi S, the total susceptibility chi =Ichi S+( chi o+ chi SO) is estimated and compared with observed results for these metals.