Dresden 2014 – scientific programme
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O: Fachverband Oberflächenphysik
O 74: Surface and Interface Magnetism II (O jointly with MA)
O 74.5: Talk
Thursday, April 3, 2014, 11:30–11:45, WIL C107
Interplay between Kondo effect and molecular quenching in magnetic molecules at metal substrates from first principles — •David Jacob1, Maria Soriano2, and Juan José Palacios2 — 1MPI für Mikrostrukturphysik, Halle, Germany — 2Universidad Autónoma de Madrid, Madrid, Spain
When a magnetic molecule is deposited on a metallic substrate or attached to metal leads, the Kondo effect can take place, thereby screening its magnetic moment. On the other hand strong coupling of the transition metal center to the organic ligands also leads to quenching of the spin. Using our DFT based ab initio approach for nanoscale devices explicitly taking into account the dynamic correlations originating from strong electronic interactions [1,2], we calculate the electronic structure and STM spectra of high spin complexes on metal surfaces. Our calculations reveal the complex interplay of the Kondo effect and molecular quenching processes in these systems [3]. Furthermore we find that Kondo screening via the organic ligands leads to novel features in the spectral function near the Fermi level different from the usual Kondo peaks. [1] D. Jacob et al., PRL 103, 016803 (2009); [2] M. Karolak et al., PRL 107, 146604 (2011); [3] D. Jacob et al., PRB 88, 134417 (2013).