Berlin 2015 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 4: Electronic Structure of Surfaces I

O 4.9: Vortrag

Montag, 16. März 2015, 12:30–12:45, MA 041

Orbital signatures of Fano-Kondo lineshapes in STM adatom spectroscopy — •Sebastian Frank and David Jacob — MPI of Microstructure Physics, Halle, Germany

Scanning tunnel spectroscopy has become a routine tool for probing the Kondo effect of magnetic atoms deposited on conducting surfaces [1]. The Kondo effect manifests itself as so-called Fano line shape in the measured conductance spectrum. However, it is often unclear which of the d-orbitals causes the observed Kondo signature in the conductance. Here we fill this gap by finding the Kondo signatures of individual d-orbitals. To this end, we perform DFT calculations augmented by local dynamic correlations. We add correlations to specific d-orbitals only, instead of the entire d-shell, and compute the corresponding conductance curves. The Fano line shapes strongly depend on the type of the correlated orbital, the effective interaction parameter U and the d-level position. Furthermore, we laterally displace our model STM tip to find the spatial evolution of the Fano signature. Hence it is possible to identify the d-orbital responsible for the observed Fano line shape.

[1] Madhavan et al., Science 280, 567 (1998); Li et al., PRL 80, 2893 (1998); Knorr et al., PRL 88, 096804 (2002)