Consequences of relativity for the hyperfine interactions — with applications to transition metals

The strong influence of relativity on the hyperfine interaction is demonstrated by non-, scalar andfully relativistic calculations for solid transition metal systems. By calculations of hyperfine fields andof the nuclear spin lattice relaxation rate of Ag in Ag _x Pt_1–x it is shown that scalar relativistic calculations, which neglect the influence of spin-orbit coupling, seem to be sufficient to account for relativistic effects in many cases. To account properly for the symmetry-breaking caused by spin-orbit coupling, which is reflected by many hyperfine interaction properties, a fully relativistic approach is demanded. The corresponding formalism in the framework of the KKR-GF (Korringa-Kohn-Rostoker-Green's function) method of band structure calculation for magnetic solids is outlined. As applications results for the hyperfine fields of pure transition metals andalloys are presented.