L. Szunyogh et al., FULLY RELATIVISTIC SPIN-POLARIZED DESCRIPTION OF MAGNETIC INTERFACE COUPLING - FE MULTILAYERS IN AU(100), Physical review. B, Condensed matter, 54(9), 1996, pp. 6430-6436
The spin-polarized fully relativistic screened Korringa-Kohn-Rostoker
method is applied to calculate magnetic interface coupling energies (M
ICE's) for Fe multilayers in Au(100), separated by up to 16 spacer lay
ers of Au. With respect to the antiparallel as well as to a perpendicu
lar relative orientation of the magnetization in the Fe slabs the MICE
's as calculated (a) in terms of total energies, (b) within the force
theorem approximation, and (c) within the frozen potential approximati
on are discussed using the concept of layer-resolved quantities. In pa
rticular the comparison between the total energy and the force theorem
approach is presented in some detail because of possible implications
for an ab initio description of transport properties in multilayer sy
stems.