Regensburg 2004 – scientific programme
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MA: Magnetismus
MA 6: Magnetische Partikel / Cluster
MA 6.13: Talk
Monday, March 8, 2004, 18:15–18:30, H10
Theoretical study of magnetic and spectroscopic properties of supported transition metal clusters — •Ján Minár1, H. Ebert1, V. Popescu1, I. Cabria2, R. Zeller2 und P. H. Dederichs2 — 1Department Chemie / Physikalische Chemie, Universität München, Butenandstr. 5-13, D-81377 München, Germany — 2Inst. für Festkörperforschung, Forschungszentrum Jülich, Postfach 1913, D-52425 Jülich, Germany
Magnetic clusters receive recently a lot of attention in academic but also in technological research. On the one hand side, the interest is caused by the fact that clusters provide a bridge between atoms and bulk material often showing quite peculiar properties. On the other hand, the ongoing need for miniaturizing, in particular in data storage technology, leads to smaller and smaller functional units leading finally to small clusters. In this work the fully relativistic spin-polarized KKR method has been used to study the magnetic and spectroscopic properties for supported clusters. For clusters supported on a transition metal substrate it is shown that the magnetic properties depend on many different parameters as substrate type, cluster size and shape and so on. This applies especially if one considers properties that are caused by spin-orbit coupling as the X-ray circular dichroism. In line with recent experimental findings a very pronounced magnetic circular dichroism in X-ray absorption is found for Co-clusters on Pt(111). The results for the MCXD spectra and their connection with the spin, orbital and spin dipolar moments will be discussed on the basis of the so-called sum rules.