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

Alexander Kiselev (), Johannes Roth () and Hans-Rainer Trebin ()
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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

A chapter in High Performance Computing in Science and Engineering ´16, 2016, pp 189-202 from Springer

Abstract: 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.

Date: 2016
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-319-47066-5_14

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DOI: 10.1007/978-3-319-47066-5_14

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