First-principles study of ultrafast bandgap dynamics in laser-excited $$\alpha$$-quartz - Université Jean-Monnet-Saint-Étienne Accéder directement au contenu
Article Dans Une Revue The European Physical Journal. Special Topics Année : 2023

First-principles study of ultrafast bandgap dynamics in laser-excited $$\alpha$$-quartz

Résumé

Femtosecond-laser-induced evolution of -quartz bandgap was calculated using rst 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 modi cation 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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Dates et versions

ujm-04244763 , version 1 (16-10-2023)

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Elena Kachan, Arshak Tsaturyan, Razvan Stoian, Jean-Philippe Colombier. First-principles study of ultrafast bandgap dynamics in laser-excited $$\alpha$$-quartz. The European Physical Journal. Special Topics, 2023, 232 (13), pp.2241-2245. ⟨10.1140/epjs/s11734-022-00747-8⟩. ⟨ujm-04244763⟩
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