Journal Article

PreJuSER-14113

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Theory of local dynamical magnetic susceptibilities from the Korringa-Kohn-Rostoker Green function method

Lounis, S.FZJ* ; Costa, A. T. ; Muniz, R. B. ; Mills, D. L.

2011
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/10950  doi:10.1103/PhysRevB.83.035109

Abstract: Within the framework of time-dependent density functional theory combinedwith the Korringa-Kohn-Rostoker Green function formalism, we present a real-space methodology to investigate dynamical magnetic excitations from first principles. We set forth a scheme which enables one to deduce the correct effective Coulomb potential needed to preserve the spin-invariance signature in the dynamical susceptibilities, that is, the Goldstone mode. We use our approach to explore the spin dynamics of 3d adatoms and different dimers deposited on a Cu(001) with emphasis on their decay to particle-hole pairs.

Keyword(s): J

Note: Research supported by the US Department of Energy through Grant No. DE-FG03-84ER-45083. R.B.M. acknowledges support from CNPq and FAPERJ, Brazil. S.L. thanks the Alexander von Humboldt Foundation for a Feodor Lynen Fellowship and also thanks Stefan Blugel for constant support of this work. The computations were performed at the supercomputer JUROPA at the Forschungszentrum Julich.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)
2. Quanten-Theorie der Materialien (IAS-1)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2011

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