Abstract
The aim of this article is to present ab initio calculations of interlayer exchange coupling for Fe/Au (001) multilayers with the same spacer thickness as in recently performed experiments. The structure is characterized by a bcc–fcc transition. The calculations are based on density functional theory using a scalar relativistic screened Korringa–Kohn–Rostoker method. The results show that in case of ideally smooth interfaces the differences of the theoretically and experimentally obtained coupling strengths by one order of magnitude remain. It will be demonstrated that the usual explanation by means of a mesoscopic roughness fails.
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