Journal Article

PreJuSER-9515

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Exchange coupling in transition-metal nanoclusters on Cu(001) and Cu(111) surfaces

Mavropoulos, P.FZJ* ; Lounis, S.FZJ* ; Blügel, S.FZJ*

2010
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/pssb.200945535

Abstract: We present results of density-functional calculations on the magnetic properties of Cr, Mn, Fe and Co nanoclusters (1-9 atoms large) supported on Cu(001) and Cu(111). The inter-atomic exchange coupling is found to depend on competing mechanisms, namely ferromagnetic double exchange and antiferromagnetic kinetic exchange. Hybridization-induced broadening of the resonances is shown to be important for the coupling strength. The cluster shape is found to affect the coupling via a mechanism that comprises the different orientation of the atomic d-orbitals and the strength of nearest-neighbour hopping. Especially in Fe clusters, a correlation of binding energy and exchange coupling is also revealed. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Keyword(s): J

Note: We are indebted to Ondrej Sipr for sending us detailed results on the Co/Au and Co/Pt systems, and to Peter Dederichs and Yuriy Molcrousov for enlightening discussions. Financial support from the Deutsche Forschungsgemeinschaft (DFG), within the Priority Programme 'Clusters in contact with surfaces: electronic structure and magnetism' (SPP-1153), is gratefully acknowledged.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IFF-1)
2. Quanten-Theorie der Materialien (IAS-1)
3. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
4. Jülich Aachen Research Alliance - High-Performance Computing (JARA-HPC)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2010

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Database coverage:
JCR ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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