Dynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductors

Abstract Excitonics is an emerging field focused on exploiting and manipulating excitons generated through light-matter interactions. Advancing the field into X-ray excitonics requires precise energy and time control of core-exciton resonances, enabling non-linear X-ray phenomena such as element-spe...

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Main Authors: Thomas C. Rossi, Lu Qiao, Conner P. Dykstra, Ronaldo Rodrigues Pela, Richard Gnewkow, Rachel F. Wallick, John H. Burke, Erin Nicholas, Anne Marie March, Gilles Doumy, D. Bruce Buchholz, Christiane Deparis, Jesús Zúñiga-Pérez, Michael Weise, Klaus Ellmer, Mattis Fondell, Claudia Draxl, Renske M. van der Veen
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Communications Materials
Online Access:https://doi.org/10.1038/s43246-025-00909-w
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author Thomas C. Rossi
Lu Qiao
Conner P. Dykstra
Ronaldo Rodrigues Pela
Richard Gnewkow
Rachel F. Wallick
John H. Burke
Erin Nicholas
Anne Marie March
Gilles Doumy
D. Bruce Buchholz
Christiane Deparis
Jesús Zúñiga-Pérez
Michael Weise
Klaus Ellmer
Mattis Fondell
Claudia Draxl
Renske M. van der Veen
author_facet Thomas C. Rossi
Lu Qiao
Conner P. Dykstra
Ronaldo Rodrigues Pela
Richard Gnewkow
Rachel F. Wallick
John H. Burke
Erin Nicholas
Anne Marie March
Gilles Doumy
D. Bruce Buchholz
Christiane Deparis
Jesús Zúñiga-Pérez
Michael Weise
Klaus Ellmer
Mattis Fondell
Claudia Draxl
Renske M. van der Veen
author_sort Thomas C. Rossi
collection DOAJ
description Abstract Excitonics is an emerging field focused on exploiting and manipulating excitons generated through light-matter interactions. Advancing the field into X-ray excitonics requires precise energy and time control of core-exciton resonances, enabling non-linear X-ray phenomena such as element-specific X-ray transient gratings, and advancing material characterization. To achieve these objectives, it is essential to comprehend the role of many-body effects governing core-exciton dynamics. In this work, we address this challenge by combining experiments with an ab initio approach specifically developed to interpret pump-probe excitations. Applied to the prototypical wide-bandgap semiconductor ZnO, first-principles calculations reproduce experimental results and unveil how the density and distribution of photoexcited carriers dynamically tune Coulomb screening, thereby controlling core-exciton binding energies, while Pauli blocking remains negligible. These insights inform a method for dynamically controlling core-exciton resonances at absorption edges, achieving either a uniform spectral blue shift caused by thermalized carrier distributions on picosecond timescales, or distinct blue shifts for individual resonances, driven by time-dependent carrier distributions on femtosecond timescales.
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spelling doaj-art-3ee540b2ccff4b5cbde5d425322427ad2025-08-24T11:40:51ZengNature PortfolioCommunications Materials2662-44432025-08-01611910.1038/s43246-025-00909-wDynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductorsThomas C. Rossi0Lu Qiao1Conner P. Dykstra2Ronaldo Rodrigues Pela3Richard Gnewkow4Rachel F. Wallick5John H. Burke6Erin Nicholas7Anne Marie March8Gilles Doumy9D. Bruce Buchholz10Christiane Deparis11Jesús Zúñiga-Pérez12Michael Weise13Klaus Ellmer14Mattis Fondell15Claudia Draxl16Renske M. van der Veen17Department of Atomic-Scale Dynamics in Light-Energy Conversion (PS-ADLU), Helmholtz-Zentrum Berlin für Materialien und Energie GmbHDepartment of Physics and CSMB, Humboldt-Universität zu BerlinDepartment of Chemistry, University of Illinois Urbana-ChampaignSupercomputing Department, Zuse Institute Berlin (ZIB)Combined X-ray methods at BLiX and BESSY II - SyncLab, Helmholtz-Zentrum Berlin für Materialien und Energie GmbHDepartment of Chemistry, University of Illinois Urbana-ChampaignDepartment of Chemistry, University of Illinois Urbana-ChampaignDepartment of Chemistry, University of Illinois Urbana-ChampaignChemical Sciences and Engineering Division, Argonne National LaboratoryChemical Sciences and Engineering Division, Argonne National LaboratoryDepartment of Materials Science and Engineering, Northwestern UniversityUniversité Côte d’Azur, CNRS, CRHEAUniversité Côte d’Azur, CNRS, CRHEAOptotransmitter-Umweltschutz-Technologie (OUT) e.V.Optotransmitter-Umweltschutz-Technologie (OUT) e.V.Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Institute for Methods and Instrumentation for Synchrotron Radiation ResearchDepartment of Physics and CSMB, Humboldt-Universität zu BerlinDepartment of Atomic-Scale Dynamics in Light-Energy Conversion (PS-ADLU), Helmholtz-Zentrum Berlin für Materialien und Energie GmbHAbstract Excitonics is an emerging field focused on exploiting and manipulating excitons generated through light-matter interactions. Advancing the field into X-ray excitonics requires precise energy and time control of core-exciton resonances, enabling non-linear X-ray phenomena such as element-specific X-ray transient gratings, and advancing material characterization. To achieve these objectives, it is essential to comprehend the role of many-body effects governing core-exciton dynamics. In this work, we address this challenge by combining experiments with an ab initio approach specifically developed to interpret pump-probe excitations. Applied to the prototypical wide-bandgap semiconductor ZnO, first-principles calculations reproduce experimental results and unveil how the density and distribution of photoexcited carriers dynamically tune Coulomb screening, thereby controlling core-exciton binding energies, while Pauli blocking remains negligible. These insights inform a method for dynamically controlling core-exciton resonances at absorption edges, achieving either a uniform spectral blue shift caused by thermalized carrier distributions on picosecond timescales, or distinct blue shifts for individual resonances, driven by time-dependent carrier distributions on femtosecond timescales.https://doi.org/10.1038/s43246-025-00909-w
spellingShingle Thomas C. Rossi
Lu Qiao
Conner P. Dykstra
Ronaldo Rodrigues Pela
Richard Gnewkow
Rachel F. Wallick
John H. Burke
Erin Nicholas
Anne Marie March
Gilles Doumy
D. Bruce Buchholz
Christiane Deparis
Jesús Zúñiga-Pérez
Michael Weise
Klaus Ellmer
Mattis Fondell
Claudia Draxl
Renske M. van der Veen
Dynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductors
Communications Materials
title Dynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductors
title_full Dynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductors
title_fullStr Dynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductors
title_full_unstemmed Dynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductors
title_short Dynamic control of X-ray core-exciton resonances by Coulomb screening in photoexcited semiconductors
title_sort dynamic control of x ray core exciton resonances by coulomb screening in photoexcited semiconductors
url https://doi.org/10.1038/s43246-025-00909-w
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