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O: Fachverband Oberflächenphysik

O 68: Focussed session: Functional molecules at surfaces III

O 68.7: Vortrag

Donnerstag, 29. März 2012, 12:45–13:00, A 053

Orbital tomography: Deconvoluting photoemission spectra of organic molecules — •F. S. Tautz¹, P. Puschnig^2,3, 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.