Berlin 2012 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 35: Poster Session II (Polymeric biomolecular films; Nanostructures; Electronic structure; Spin-orbit interaction; Phase transitions; Surface chemical reactions; Heterogeneous catalysis; Particles and clusters; Surface magnetism; Electron and spin dynamics; Surface dynamics; Methods; Electronic structure theory; Functional molecules)
O 35.41: Poster
Dienstag, 27. März 2012, 18:15–21:45, Poster B
Topographic deconvolution of molecular photoemission spectra — •Serguei Soubatch1, Peter Puschnig2,3, Eva Reinisch3, Thomas Ules3, Georg Koller3, Markus Ostler4, Lorenz Romaner2, Claudia Ambrosch-Draxl2, Stefan Tautz1, and Michael Ramsey3 — 1Peter Grünberg Institut, Forschungszentrum Jülich — 2Chair of Atomistic Modeling and Design of Materials, Montanuniversität Leoben — 3Institut für Physik, Karl-Franzens Universität Graz — 4Lehrstuhl für Tech- nische Physik, Universität Erlangen-Nürnberg
We propose a method of photoemission spectra interpretation based on tomographic deconvolution of spectral features into individual orbitals suitable for cases when two or even several molecular orbitals overlap in the same energy interval. Suggested approach utilizes the earlier finding that the ARPES intensity distribution from a single molecular state is related to the Fourier transform of respective molecular orbital. Deconvoluting the entire experimental datacube of photoemission current recorded with toroidal electron analyzer into momentum dependent and energy dependent components and approximating the momentum dependent part by the Fourier transform of a chosen molecular orbital, one achieves the energy distribution of corresponding orbital. In the photoemission experiments on PTCDA/Ag(110), using tomographic deconvolution, four orbitals situated within an energy range of only 0.4 eV were successfully differentiated demonstrating applicability of the method even for strongly interacting molecule/metal interfaces.