Theory of Local Dynamical Magnetic Susceptibilities from the Korringa-Kohn-Rostoker Green Function Method

Details Theory of Local Dynamical Magnetic Susceptibilities from the Korringa-Kohn-Rostoker Green Function Method Theory of Local Dynamical Magnetic Susceptibilities from the Korringa-Kohn-Rostoker Green Function Method

2010-10-06

arxiv.org/abs/1010.1293v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

32 pages (preprint), 6 figures, one table

Scientific paper

Within the framework of time-dependent density functional theory combined with 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, i.e. 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.

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