Magnetism of close packed Fe147 clusters

In: Phase Transitions, Jg. 79 (2006) ; 9 & 10, S. 701 - 707
Zeitschriftenaufsatz / Fach: Physik
Abstract:
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 Fe147-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.