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First-principles calculations for initial electronic excitation in dielectrics induced by intense femtosecond laser pulses

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Sato,  S.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Computational Sciences, University of Tsukuba;

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Citation

Sato, S., & Yabana, K. (2016). First-principles calculations for initial electronic excitation in dielectrics induced by intense femtosecond laser pulses. In LASER-INDUCED DAMAGE IN OPTICAL MATERIALS 2016. Bellingham, Washington USA: SPIE. doi: 10.1117/12.2243012.


Cite as: http://hdl.handle.net/21.11116/0000-0001-8E8D-1
Abstract
Laser-induced damage of SiO2 (alpha-quartz) is investigated by first-principles calculations. The calculations are based on a coupled theoretical framework of the time-dependent density functional theory and Maxwell equation to describe strongly-nonlinear laser-solid interactions. We simulate irradiation of the bulk SiO2 with femtosecond laser pulses and compute energy deposition from the laser pulse to electrons as a function of the distance from the surface. We further analyze profiles of laser-induced craters, comparing the transferred energy with the cohesive energy of SiO2. The theoretical crater profile well reproduces the experimental features for a relatively weak laser pulse. In contrast, the theoretical result fails to reproduce the measured profiles for a strong laser pulse. This fact indicates a significance of the subsequent atomic motions that take place after the energy transfer ends for the formation of the crater under the strong laser irradiation.