Regensburg 2013 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 22: Focused Session: Frontiers of Electronic Structure Theory 2 (jointly with HL and O)

TT 22.5: Talk

Monday, March 11, 2013, 17:00–17:15, H36

Dynamical spin and charge excitations with spin–orbit coupling in 3d adatoms on Cu(111) and Pt(111) — •Manuel dos Santos Dias, Benedikt Schweflinghaus, and Samir Lounis — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany

The presence of spin–orbit coupling has a fundamental impact on the magnetic excitation spectrum: there is a finite gap at zero frequency and spin and charge excitations become coupled. The excitation spectrum is derived from the dynamical magnetic susceptibility of the electronic system, for which we developed a formalism based on Time–Dependent Density Functional Theory, as implemented in the Korringa–Kohn–Rostoker Green function method [1,2]. As an application, we present first–principles calculations of the charge, longitudinal and transverse magnetic excitations of 3d adatoms deposited on the Cu(111) and Pt(111) surfaces. Focus is on the expected spin–charge coupling induced by the the spin–orbit interaction, and on the dynamical anisotropic effects that generalize the familiar magnetic anisotropy.
Work supported by the HGF-YIG Programme FunSiLab – Functional Nanoscale Structure Probe and Simulation Laboratory (VH-NG-717).
[1] S. Lounis, A. T. Costa, R. B. Muniz and D. L. Mills, Phys. Rev. Lett. 105, 187205 (2010)
[2] S. Lounis, A. T. Costa, R. B. Muniz and D. L. Mills, Phys. Rev. B 83, 035109 (2011)