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K: Fachverband Kurzzeitphysik

K 5: Laserstrahlwechselwirkung und Laseranwendungen

K 5.7: Vortrag

Dienstag, 26. Februar 2013, 15:30–15:45, HS 4

Ab initio simulations of laser-induced structural changes in solids — •Eeuwe S. Zijlstra — Theoretische Physik und CINSaT, Universität Kassel, Germany

The excitation of electrons in crystals by a femtosecond laser pulse leads to an abrupt change of the interatomic bonding properties, which can be described by means of laser-excited potential energy surfaces (PES). After introducing our in-house Code for Highly-excIted Valence Electron Systems (CHIVES), which can be used to perform ab initio molecular dynamics simulations on laser-excited PESs for cells with up to 1000 atoms. I will present results for TiO2 and silicon as a function of fluence, including coherent phonons, ultrafast phonon squeezing [1], and nonthermal melting. [1] E. S. Zijlstra, A. Kalitsov, T. Zier, and M. E. Garcia, Physical Review X (accepted).