Dresden 2014 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 74: Correlated Electrons: Quantum Impurities, Kondo Physics

TT 74.12: Talk

Wednesday, April 2, 2014, 18:00–18:15, BEY 81

Kondo effect in Transition Metal Phthalocyanine Molecules on metal surfaces — •Michael Karolak and Giorgio Sangiovanni — Institut für Theoretische Physik und Astrophysik, Universität Würzburg, 97074 Würzburg, Germany

We study the impact of strong electronic correlations on the electronic structure of Phthalocyanine (PC) molecules with 3d transition metal centers, adsorbed on different surfaces. Specifically, we investigate MnPC and CuPC adsorberd on Au(111), Ag(100), as well as Cu(100) surfaces. To this end we employ a first principles DFT++ method (density functional theory combined with an impurity solver) for calculating the electronic structure, explicitly taking into account the dynamic correlations arising from the strongly interacting 3d shell of the transition metal center. We compare our calculations with new scanning tunnelling microscopy experiments. Depending on the chemical valence of the transition metal center and the geometry of the molecule in contact with the different surfaces very different spectra are observed in the experiment. Our first principles calculations provide explanations of the observed data in terms of multi-orbital Kondo physics.