Berlin 2018 – scientific programme

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MA: Fachverband Magnetismus

MA 52: Poster II

MA 52.45: Poster

Thursday, March 15, 2018, 15:00–18:00, Poster C

Towards understanding strong electron correlation in molecular complexes on surfaces — •Marc Philipp Bahlke and Carmen Herrmann — Institute for Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany

The interaction of conduction band electrons with localized unpaired electrons can cause the formation of a singlet state at sufficiently low temperature. This effect is known as the Kondo effect and can be observed in many experimental setups such as break junctions and in scanning tunneling microscopy (STM) experiments.

Our goal is to understand the Kondo effect from a chemical perspective, to allow for a systematic manipulation of molecules (e.g. via ligand substitution) that in turn controls the Kondo effect. As a first step in this direction, we investigated a series of cobaltcarbonyl complexes adsorbed on Cu(100), as reported by P. Wahl et al. [1], concerning the Kondo effect in the scope of a combination of density functional theory and the single impurity Anderson model (DFT++).

We found that hybridization of the Co 3d shell strongly depends on the number of CO ligands attached to cobalt, which is potentially the reason for the increasing Kondo temperature with an increased number of Co ligands.

[1] P. Wahl, L. Diekhöner, G. Wittich, L. Vitali, M. A. Schneider, K. Kern, Phys. Rev. Lett. 95, 166601 (2005).