Dresden 2011 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 39: Focussed session: Theory and computation of electronic structure: new frontiers III (jointly with HL, DS)
O 39.1: Vortrag
Mittwoch, 16. März 2011, 11:15–11:30, TRE Phy
Dynamical magnetic excitations of nanostructures from first-principles — •Samir Lounis1,2, Antonio Costa3, Roberto Muniz3, and Douglas Mills1 — 1Department of Physics and Astronomy, University of California Irvine, California, 92697 USA — 2Institut für Festkörperforschung and Institut for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany — 3Instituto d Fisica, Universidade Federal Fluminense, 24210-340 Niteroi, Rio de Janeiro, Brazil
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 [1]. 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) surface[1] and a Cu(111) surface [2] with emphasis on their decay to particle-hole pairs.
Research supported by the U. S. Depart. of Energy through grant No. DE-FG03-84ER-45083. S. L. thanks the A.v. Humboldt Foundation for a Feodor Lynen Fellowship. R.B.M. acknowledges support from CNPq and FAPERJ, Brazil.
[1] Lounis et al. Phys. Rev. Lett. 105, 187205 (2010); Lounis et al. arXiv:1010.1293. [2] Khajetoorians et al. arXiv:1010.1284v2.