https://doi.org/10.1140/epjs/s11734-022-00747-8
Regular Article
First-principles study of ultrafast bandgap dynamics in laser-excited 
-quartz
Laboratoire Hubert Curien UMR 5516, Institut d’Optique Graduate School, University of Lyon, UJM-Saint-Etienne, CNRS, Saint-Etienne, France
a
elena.kachan@univ-st-etienne.fr
Received:
16
May
2022
Accepted:
3
December
2022
Published online:
11
January
2023
Femtosecond-laser-induced evolution of -quartz bandgap was calculated using first principles. First, time-dependent density functional theory (TDDFT) was used to describe excited electron dynamics during the laser pulse irradiation. Then, the temperature of excited electrons was estimated using finite-temperature DFT. Finally, the GW approximation was applied to calculate the electronic structure modification driven by hot electrons. As a result, an ultrafast decrease of the bandgap is observed during a 15-fs laser pulse with a drop of 35 % at laser intensities near the damage threshold.
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© The Author(s), under exclusive licence to EDP Sciences, Springer-Verlag GmbH Germany, part of Springer Nature 2022. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
