Regensburg 2013 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

HL: Fachverband Halbleiterphysik

HL 90: Poster Session: Quantum information systems; Optical properties; Ultrafast phenomena

HL 90.15: Poster

Thursday, March 14, 2013, 16:00–20:00, Poster A

Ab-initio MD-simulation of large TiO₂ supercells after fs-laser excitation — •Sergej Krylow, Fairoja Cheenicode Kabeer, Eeuwe S. Zijlstra, and Martin E. Garcia — Theoretical Physics, University of Kassel, Heinrich-Plett-Str. 40, 34132 Germany

Using the computer program CHIVES(Code for Highly-excited Valence Electron Systems), which is based on electronic temperature dependent density functional theory, pseudopotentials and localized atom centered basis functions, we performed MD-simulations of TiO₂ in order to determine its structural response to intense fs-laser excitation. We pay particular attention to different types of electronic forces driving the coherent phonons as well as to their decay as a function of time due to phonon-phonon interactions. We compare our results to recent experiments.