Regensburg 2016 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 1: Overview Talk: Claudia Draxl

O 1.1: Hauptvortrag

Montag, 7. März 2016, 09:30–10:15, S054

From surfaces and molecules to interfaces and hybrid materials: Theoretical spectroscopy of low-dimensional systems — •Claudia Draxl — Humboldt-Universität zu Berlin, Berlin, Germany — Fritz-Haber Institute of the Max-Planck Society, Berlin, Germany

Ab initio spectroscopy is a powerful combination of quantum-based theories and computer simulations. It covers a wide range of theoretical and computational methods, which go beyond density-functional theory by incorporating many-body effects and interactions that show up in the excited state. This methodology not only allows for analyzing data obtained by experimental probes like photoemission, optical absorption, Raman, infrared, X-ray, and electron-loss spectroscopy, but also for shining light onto the underlying processes. These may be distinctively different depending on the nature and dimensionality of the material. Low-dimensional systems and interfaces challenge our theoretical concepts and numerical approaches. A series of selected examples – from surfaces and molecules to interfaces and organic-inorganic hybrid materials – will show how we can explore exciting new phenomena, where we are in our theoretical understanding, and what the major issues are that need to be tackled.