Excited-state bandgap dynamics in silica from first principles

Elena Kachan; Arshak Tsaturyan; Razvan Stoian; Jean-Philippe Colombier

doi:10.1117/12.3012458

11 April 2024 Excited-state bandgap dynamics in silica from first principles

Elena Kachan, Arshak Tsaturyan, Razvan Stoian, Jean-Philippe Colombier

Proceedings Volume PC12939, High-Power Laser Ablation VIII; PC129391B (2024) https://doi.org/10.1117/12.3012458
Event: SPIE High-Power Laser Ablation, 2024, Santa Fe, New Mexico, United States

Abstract

Wide-bandgap materials such as silicon dioxide (fused silica, α-quartz) can undergo strong excitation when exposed to high-power ultrashort laser pulses. This leads to a high transient electron density in the conduction band, causing distortion in the bands and resulting in a significant bandgap renormalization. Additionally, there is a spatial redistribution of the excited charges, leading to weakening of silica bonds and subsequent reorganization of the crystal structure, further contributing to the change in the bandgap. Through the use of Density Functional Theory, Time-Dependent Density Functional Theory, and GW approximation, the evolution of the bandgap is studied at different levels of excitation, revealing changes of up to several electronvolts on ultrashort timescales.

Conference Presentation

Citation Download Citation

Elena Kachan, Arshak Tsaturyan, Razvan Stoian, and Jean-Philippe Colombier "Excited-state bandgap dynamics in silica from first principles", Proc. SPIE PC12939, High-Power Laser Ablation VIII, PC129391B (11 April 2024); https://doi.org/10.1117/12.3012458

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