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In using the fully relativistic versions of the embedded cluster and screened Korringa-Kohn-Rostoker methods for semi-infinite systems the magnetic properties of single adatoms of Fe and Co on Ir(111) and Pt(111) are studied. It is found that for Pt(111) Fe and Co adatoms are strongly perpendicularly oriented, while on Ir(111) the orientation of the magnetization is only out of plane for a Co adatom; for an Fe adatom it is in plane. For comparison, the so-called band energy parts of the anisotropy energy of a single layer of Fe and Co on these two substrates are also shown. The obtained results are compared to recent experimental studies using, e.g., the spin-polarized STM technique.
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Etz et al. (2008) studied this question.
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