T. Schulthess et al., INFLUENCE OF INTERDIFFUSION ON THE INTERFACIAL MAGNETISM IN FE RU SUPERLATTICES/, Solid state communications, 87(4), 1993, pp. 317-320
We study the effect of interdiffusion on the magnetism of two Fe/Ru su
perlattices representative of the two structures proposed in the liter
ature. Our approach is a combination of the layer Korringa-Kohn-Rostok
er method with the multiple-scattering spin-polarized version of the c
oherent-potential approximation. We find that even a 20% alloying in t
he boundary planes produces only an insignificant reduction of the Fe
moments at the interface, so that interdiffusion cannot be at the orig
in of the magnetically dead layers observed in these systems. From an
analysis of results for bulk alloys we deduce that local geometrical r
elaxation and possibly on-site Coulomb interactions of the Fe 3d elect
rons are responsible for the moment suppression.