H. Ebert et H. Akai, CONSEQUENCES OF RELATIVITY FOR THE HYPERFINE INTERACTIONS - WITH APPLICATIONS TO TRANSITION-METALS, Hyperfine interactions, 78(1-4), 1993, pp. 361-375
The strong influence of relativity on the hyperfine interaction is dem
onstrated by non-, scalar and fully relativistic calculations for soli
d transition metal systems. By calculations of hyperfine fields and of
the nuclear spin lattice relaxation rate of Ag in AgxPt1-x it is show
n that scalar relativistic calculations, which neglect the influence o
f spin-orbit coupling, seem to be sufficient to account for relativist
ic effects in many cases. To account properly for the symmetry-breakin
g 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 m
agnetic solids is outlined. As applications results for the hyperfine
fields of pure transition metals and alloys are presented.