Berlin 2015 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 43: Inorganic/Organic Interfaces: Electronic Properties I
O 43.2: Vortrag
Mittwoch, 18. März 2015, 11:00–11:15, MA 005
Can three-dimensional orbitals of adsorbed molecules be measured? — •Simon Weiß1,2, Daniel Lüftner3, Eva-Maria Reinisch3, Thomas Ules3, Georg Koller3, Sergey Soubatch1,2, Peter Puschnig3, Michael Ramsey3, and F. Stefan Tautz1,2 — 1Peter Grünberg Institute (PGI-3), Forschungszentrum Jülich, Germany — 2JARA - Fundamentals of Future Information Technology, Germany — 3Institute of Physics, Karl-Franzens University Graz, 8010 Graz, Austria
Chemical and physical properties of atoms and molecules are determined by their electron wave functions i.e. orbitals. Therefore there is much interest to measure these orbitals, although they are not quantum-mechanical observables. Experimentally only the electron density and energy levels are accessible, the phase information is lost. Using angle resolved photoemission spectroscopy (ARPES) electron density can be measured. Additionally it has been shown that a plane wave final state interpretation of experimental ARPES data allows the retrieval of real space images of molecular orbitals in two dimensions including also phase information. For a complete reconstruction of the molecule it is necessary to introduce the energy dependence to gain the third dimension in momentum space. Here the position of the intensity maximum is of particular importance. As a model system we used the brick-wall monolayer of 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) on Ag(110) and measured HOMO and LUMO in an wide energy range. This data we used to reconstruct the orbitals and compare the result with theoretical predictions.