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MA: Fachverband Magnetismus

MA 19: Surface and Interface Magnetism I (jointly with O)

MA 19.6: Vortrag

Dienstag, 12. März 2013, 11:45–12:00, H33

First-principles investigation of self energies and theoretical magnetic excitation spectra — •Benedikt Schweflinghaus¹, Manuel Dos Santos Dias¹, Antonio Costa², and Samir Lounis¹ — ¹Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany — ²Instituto de Física, Universidade Federal Fluminense, 24210-340 Niteroi, Rio de Janeiro, Brazil

Access to magnetic excitation spectra of single atoms deposited on surfaces is nowadays possible by means of low-temperature inelastic scanning tunneling spectroscopy, see e.g. [1]. A theoretical description of these spectra is accessible through the self energy which describes the coupling of the tunnelling electrons and the spin excitation within the adsorbate. We compute this quantity from first-principles utilizing the Korringa-Kohn-Rostoker Green function method combined with time-dependent density functional theory.

We will present results obtained for single 3d transition-metal adatoms placed on Cu(111) as well as on Pt(111) and proceed to a comparison with available experimental data. In particular, we will show how the imaginary part of the self energy, which essentially describes the lifetime of the excitation, is related to the local density of states as well as to the local dynamical magnetic susceptibility.

This work is supported by the HGF-YIG Programme (VH-NG-717 Funsilab).

[1] A. A. Khajetoorians et al., Phys. Rev. Lett. 106, 037205 (2011)