Berlin 2015 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 111: Correlated Electrons: Quantum Impurities, Kondo Physics
TT 111.4: Talk
Friday, March 20, 2015, 10:15–10:30, H 3005
Transfering spin into an extended π-orbital of a large molecule – A comparison between NRG and experiment — •Benedikt Lechtenberg1, Thorsten Deilmann2, Taner Esat3, Peter Krüger2, Christian Wagner3, Ruslan Temirov3, Frithjof B. Anders1, F. Stefan Tautz3, and Michael Rohlfing2 — 1Technische Universität Dortmund, Lehrstuhl für Theoretische Physik II, 44221 Dortmund — 2Institut für Festkörpertheorie, WWU Münster, 48149 Münster — 3Peter Grünberg Institute, Forschungszentrum Jülich, 52425 Jülich
Recently,
the adsorption of single Au atoms on a PTCDA monolayer physisorbed on a Au(111) surface
has been investigated
by means of low temperature scanning tunneling microscopy (STM) and spectroscopy (STS).
The chemical reaction between the Au atom and PTCDA leads to the formation of a radical
occupied with an unpaired spin. This radical formation can be observed as an additional
zero bias differential conductance peak originating from the Kondo effect.
An LDA calculation has identified the participating states of the Au-PTCDA complex,
and the projected density of states from quasiparticle corrections provide all necessary
first principle input parameter for the numerical renormalization group (NRG) calculation.
This talk focus on the NRG calculations and their results that are in excellent agreement with experiment: the calculated Kondo temperature matches very well the experimentally measured
data.