Berlin 2015 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 70: Structural Dynamics in Nanoscale Materials Probed by Ultrashort Electron Pulses

O 70.8: Poster

Mittwoch, 18. März 2015, 18:15–21:00, Poster A

Classical potential for femtosecond-laser excited silicon — •Bernd Bauerhenne, Tobias Zier, Eeuwe S. Zijlstra, and Martin E. Garcia — Theoretische Physik - Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany

Using femtosecond-laser pulses it is possible to manipulate solids in unconventional ways, which can, for example, be used to write structures on surfaces. In order to understand and predict such processes an effective classical potential is a key tool. Here we developed a new potential for laser-excited silicon starting from known classical potentials by fitting realistic density functional theory simulations of nonthermal melting of silicon [1]. We also optimized the potential function. As first results, we found, that our new potential describes accurately the fractional diffusion during ultrafast melting of silicon and that we can reproduce both the time-resolved pair correlation function and the angular distribution function.

[1] E. S. Zijlstra, A. Kalitsov, T. Zier, and M. E. Garcia, Fractional diffusion in silicon, Adv. Mater. 25, pp. 5605-5608, 2013.