Project Details
Projekt
Dynamics of clusters at surfaces
Applicant
Professor Dr. Paul-Gerhard Reinhard
Subject Area
Condensed Matter Physics
Term
from 2003 to 2011
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 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 Programme
Priority Programmes
