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Projekt
Dynamics of clusters at surfaces
Antragsteller
Professor Dr. Paul-Gerhard Reinhard
Fachliche Zuordnung
Physik der kondensierten Materie
Förderung
Förderung von 2003 bis 2011
Projektkennung
Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 5405616
Goal is the theoretical description of dynamical processes of clusters in contact with surfaces. We aim at developing a most efficient description of the cluster-surface interaction to allow the treatment of larger clusters. We will emphasize electronic dynamics in the non-linear regime, augmented by a simultaneous treatment of ionic dynamics. Intended applications are: 1) influence of the substrate on the dynamical processes; 2) dynamics of cluster deposit, tracking electron emission as well as electron transfer into and from the substrate; 3) multi-photon emission following laser excitation of deposited clusters, angular and kinetic-energy distribution of emitted electrons; 4) pump-and-probe analysis of electronic relaxation processes in deposited metal clusters. Investigation of optical response of deposited clusters is always the first step to explore proper tuning of dynamical scenarios. And it is an interesting task of its own, particularly what the influence of the substrate is concerned. Tools for the investigations are density-functional methods at the level of the time-dependent local-density approximation coupled to classical ionic molecular dynamics. There exists already a pool of codes for that: a fully fledged three-dimensional TDLDA-MD code, a symmetry restricted variant thereof in axial two dimensions, and semi-classical approximations.
DFG-Verfahren
Schwerpunktprogramme
