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Molecular Dynamics Simulations of Silicon: The Influence of Electron-Temperature Dependent Interactions

In: High Performance Computing in Science and Engineering ´16

Author

Listed:
  • Alexander Kiselev

    (Universität Stuttgart, Institut für Funktionelle Materie und Quantentechnologien)

  • Johannes Roth

    (Universität Stuttgart, Institut für Funktionelle Materie und Quantentechnologien)

  • Hans-Rainer Trebin

    (Universität Stuttgart, Institut für Funktionelle Materie und Quantentechnologien)

Abstract

The well-known two-temperature model for solids with highly excited electrons is extended from metals to semiconductors. It is combined with classical molecular dynamics simulations to study laser ablation in semiconductors where charge carriers are created by the absorption of the laser light. The model is improved by extending the static modified Tersoff potential to a dynamical interaction which depends on the electron temperature of the material. Results are presented for single and double pulses in silicon and are compared to a simple rescale model where the laser energy is added as kinetic energy to the atoms.

Suggested Citation

  • Alexander Kiselev & Johannes Roth & Hans-Rainer Trebin, 2016. "Molecular Dynamics Simulations of Silicon: The Influence of Electron-Temperature Dependent Interactions," Springer Books, in: Wolfgang E. Nagel & Dietmar H. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering ´16, pages 189-202, Springer.
    • Handle: RePEc:spr:sprchp:978-3-319-47066-5_14
    DOI: 10.1007/978-3-319-47066-5_14
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