ArticleScientific reports2022
Density functional tight binding approach utilized to study X-ray-induced transitions in solid materials.
Article in Scientific reports, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Measuring temperature and observing graphitization of heavy-ion-heated diamond.Scientific reports · 2026Article
- Electronic mechanism of sub-100-fs demagnetization induced by a femtosecond light pulse.Scientific reports · 2026Article
- Electron population dynamics in resonant non-linear x-ray absorption in nickel at a free-electron laser.Structural dynamics (Melville, N.Y.) · 2023Article
- Non-thermal structural transformation of diamond driven by x-rays.Structural dynamics (Melville, N.Y.) · 2023Article
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Authors and funding
6 authors.
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No grant is acknowledged in the PubMed record.
Abstract
Intense X-ray pulses from free-electron lasers can trigger ultrafast electronic, structural and magnetic transitions in solid materials, within a material volume which can be precisely shaped through adjustment of X-ray beam parameters. This opens unique prospects for material processing with X rays. However, any fundamental and applicational studies are in need of computational tools, able to predict material response to X-ray radiation. Here we present a dedicated computational approach developed to study X-ray induced transitions in a broad range of solid materials, including those of high chemical complexity. The latter becomes possible due to the implementation of the versatile density functional tight binding code DFTB+ to follow band structure evolution in irradiated materials. The outstanding performance of the implementation is demonstrated with a comparative study of XUV induced graphitization in diamond.
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