Berlin 2012 – scientific programme
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O: Fachverband Oberflächenphysik
O 68: Focussed session: Functional molecules at surfaces III
O 68.7: Talk
Thursday, March 29, 2012, 12:45–13:00, A 053
Orbital tomography: Deconvoluting photoemission spectra of organic molecules — •F. S. Tautz1, P. Puschnig2,3, E.-M. Reinisch2, T. Ules2, G. Koller2, S. Soubatch1, M. Ostler4, L. Romaner3, C. Ambrosch-Draxl3, and M. G. Ramsey2 — 1Peter Grünberg Institut, Forschungszentrum Jülich — 2Institut für Physik, Karl-Franzens Universität Graz — 3Chair of Atomistic Modeling and Design of Materials, Montanuniversität Leoben — 4Lehrstuhl für Technische Physik, Universität Erlangen-Nürnberg
We propose a tomographic method which uses the energy and momentum dependence of photoemission from adsorbed molecules to deconvolute valence band spectra spectra into individual orbitals beyond the limits of energy resolution.
The method allows the purely experimental determination of molecule-projected densities of state (PDOS), to be compared to theoretically calculated PDOS. The method further allows the direct observation of the effects of bonding on individual orbitals, and in so doing, provides stringent tests for the development of ab-initio electronic structure theory.
Photoemission experiments on PTCDA/Ag(110) were performed at BESSYII using a toroidal electron energy analyzer. The valence band of PTCDA was unambiguously disentangled into contributions from six molecular orbitals with a binding energy below 4 eV, four of them within an energy range of only 0.4 eV.