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Magnetism of close packed Fe clusters

Phase Transitions, ISSN: 0141-1594, Vol: 79, Issue: 9-10, Page: 701-707
2006
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Conference Paper Description

We present ab initio density functional theory calculations of the magnetic structure of perfectly cuboctahedral nanoparticles consisting of 147 iron atoms. The results are compared to geometrically relaxed cuboctahedral and icosahedral Fe-clusters. It is found, that structural relaxation leads to a compression, which reduces especially the moments of the central atoms of the cluster, while surface magnetism remains practically unaffected.

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