Dresden 2014 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 69: Focussed Session: Towards a Quantitative Understanding of Complex Adsorption Structures: Surface Science goes Organic II

O 69.4: Topical Talk

Donnerstag, 3. April 2014, 11:30–12:00, HSZ 01

Core and valence spectroscopy of physisorbed molecules: Role of substrate — •Claudia Draxl — Humboldt-Universität zu Berlin, Berlin

The interplay between weak intermolecular bonding and molecule-substrate interaction governs orientation, alignment, conformation, and packing of molecules. These geometrical aspects, in turn, determine the electronic and optical properties of the molecular layer(s). The substrate can, however, play an even more important role. It may affect the electronic structure in terms of charge transfer, polarization, and vibrational effects. To this extent, theoretical results obtained by density-functional theory and many-body perturbation theory will be analyzed and confronted with various microscopic and spectroscopic experimental probes. I will show how, for example, the molecular HOMO and LUMO levels are shifted by image-charge effects induced by a metal surface, and how small amounts of transferred charge can alter the molecular orbitals. Finally, the impact of electron-phonon coupling on x-ray absorption spectra of low-dimensional systems will be discussed.