Dresden 2006 – wissenschaftliches Programm
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O: Oberflächenphysik
O 29: Poster session II (Nanostructures, Magnetism, Particles and clusters, Scanning probe techniques, Time-resolved spectroscopy, Structure and dynamics, Semiconductor surfaces and interfaces, Oxides and insulators, Solid-liquid interfaces)
O 29.53: Poster
Mittwoch, 29. März 2006, 14:30–17:30, P2
Theoretical Study of the Electron Dynamics at the Silicon (100) 2x1-Surface — •Norbert Bücking1,2, Martin Slowik1, Peter Kratzer2, Matthias Scheffler2, and Andreas Knorr1 — 1Institut für Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, Germany — 2Fritz-Haber-Institut der Max-Planck-Gesellschaft, Abt. Theorie, Faradayweg 4-6, 14195 Berlin, Germany
Recent photoemission experiments call for a detailed study of the temporal surface dynamics on silicon surfaces. We use a model for the phonon based short-time dynamics where the electron-phonon interaction of both bulk and surface states is described by Density-Functional-Theory (DFT). The surface band structure of Si(100), including the surface states Dup and Ddown, is calculated using a slab geometry in local density approximation (LDA). For the bands contributing to the surface dynamics, the corresponding Kohn-Sham wave functions are used to compute electron phonon coupling matrix elements. Density matrix formalism is used to evaluate the population dynamics of excited conduction band states. Different theoretical approaches, such as Markovian and time-convolutionless (TCL) methods are compared.