Photo-induced manipulation and relaxation dynamics of Weyl-semimetals

Abstract The use of ultrashort laser pulses to manipulate properties or investigate a materials response on femtosecond time-scales enables detailed tracking of charge, spin, and lattice degrees of freedom. When pushing the limits of experimental resolution, connection to theoretical modeling become...

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Main Authors: Jakub Šebesta, Oscar Grånäs
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01708-0
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author Jakub Šebesta
Oscar Grånäs
author_facet Jakub Šebesta
Oscar Grånäs
author_sort Jakub Šebesta
collection DOAJ
description Abstract The use of ultrashort laser pulses to manipulate properties or investigate a materials response on femtosecond time-scales enables detailed tracking of charge, spin, and lattice degrees of freedom. When pushing the limits of experimental resolution, connection to theoretical modeling becomes increasingly important to infer causality relations. Weyl-semimetals are a particular class of materials of recent focus due to the topological protection of the Weyl-nodes, resulting in a number of fundamentally interesting phenomena. This work provides a first-principles framework based on time-dependent density-functional theory for tracking the distribution of Weyl-nodes in the Brillouin-zone following an excitation by a laser pulse. Investigating the prototype material TaAs, we show that residual shifts in the Weyl-Nodes’ position and energy distribution are induced by a photo-excitation within femto-seconds through band-structure renormalization. Further, we provide an analysis of the relaxation pathway of the photoexcited band-structure through lattice vibrations.
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spelling doaj-art-e8a78fa706af4228b475ef59e9ddf3e72025-08-20T03:05:06ZengNature Portfolionpj Computational Materials2057-39602025-07-0111111010.1038/s41524-025-01708-0Photo-induced manipulation and relaxation dynamics of Weyl-semimetalsJakub Šebesta0Oscar Grånäs1Division of Materials Theory, Department of Physics and Astronomy, Uppsala UniversityDivision of Materials Theory, Department of Physics and Astronomy, Uppsala UniversityAbstract The use of ultrashort laser pulses to manipulate properties or investigate a materials response on femtosecond time-scales enables detailed tracking of charge, spin, and lattice degrees of freedom. When pushing the limits of experimental resolution, connection to theoretical modeling becomes increasingly important to infer causality relations. Weyl-semimetals are a particular class of materials of recent focus due to the topological protection of the Weyl-nodes, resulting in a number of fundamentally interesting phenomena. This work provides a first-principles framework based on time-dependent density-functional theory for tracking the distribution of Weyl-nodes in the Brillouin-zone following an excitation by a laser pulse. Investigating the prototype material TaAs, we show that residual shifts in the Weyl-Nodes’ position and energy distribution are induced by a photo-excitation within femto-seconds through band-structure renormalization. Further, we provide an analysis of the relaxation pathway of the photoexcited band-structure through lattice vibrations.https://doi.org/10.1038/s41524-025-01708-0
spellingShingle Jakub Šebesta
Oscar Grånäs
Photo-induced manipulation and relaxation dynamics of Weyl-semimetals
npj Computational Materials
title Photo-induced manipulation and relaxation dynamics of Weyl-semimetals
title_full Photo-induced manipulation and relaxation dynamics of Weyl-semimetals
title_fullStr Photo-induced manipulation and relaxation dynamics of Weyl-semimetals
title_full_unstemmed Photo-induced manipulation and relaxation dynamics of Weyl-semimetals
title_short Photo-induced manipulation and relaxation dynamics of Weyl-semimetals
title_sort photo induced manipulation and relaxation dynamics of weyl semimetals
url https://doi.org/10.1038/s41524-025-01708-0
work_keys_str_mv AT jakubsebesta photoinducedmanipulationandrelaxationdynamicsofweylsemimetals
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