Gruner, Markus Ernst; Rollmann, Georg; Sahoo, Sanjubala; Entel, Peter:
Magnetism of close packed Fe147 clusters
2006
In: Phase Transitions, Jg. 79 (2006), Heft 9 & 10, S. 701 - 707
Artikel/Aufsatz in Zeitschrift / Fach: Physik
Titel:
Magnetism of close packed Fe147 clusters
Autor(in):
Gruner, Markus Ernst im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen; Rollmann, Georg; Sahoo, Sanjubala im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen; Entel, Peter im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen
Erscheinungsjahr:
2006
Erschienen in:
Phase Transitions, Jg. 79 (2006), Heft 9 & 10, S. 701 - 707
DOI:
Link URL:

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.