Nonlinear spectral dispersion in resonant Auger scattering from SF6 for studying nuclear potentials and dynamicsSorbonne Université, CNRS, UMR 7614, Laboratoire de Chimie Physique-Matiére et Rayonnement, F-75005 Paris, France; Synchrotron SOLEIL, l'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette Cedex, France.
Sorbonne Université, CNRS, UMR 7614, Laboratoire de Chimie Physique-Matiére et Rayonnement, F-75005 Paris, France; Synchrotron SOLEIL, l'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette Cedex, France.
Sorbonne Université, CNRS, UMR 7614, Laboratoire de Chimie Physique-Matiére et Rayonnement, F-75005 Paris, France; Synchrotron SOLEIL, l'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette Cedex, France.
Sorbonne Université, CNRS, UMR 7614, Laboratoire de Chimie Physique-Matiére et Rayonnement, F-75005 Paris, France; Department of Physics, University of Gothenburg, Origovägen 6B, SE-412 96 Gothenburg, Sweden, Origovägen 6B.
Instituto de Física, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ, Brazil.
Synchrotron SOLEIL, l'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette Cedex, France.
Sorbonne Université, CNRS, UMR 7614, Laboratoire de Chimie Physique-Matiére et Rayonnement, F-75005 Paris, France.
Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany.
Sorbonne Université, CNRS, UMR 7614, Laboratoire de Chimie Physique-Matiére et Rayonnement, F-75005 Paris, France; Synchrotron SOLEIL, l'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette Cedex, France.
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2024 (English)In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 110, no 6, article id 062814Article in journal (Refereed) Published
Abstract [en]
In this study, we integrate experimental observations and theoretical models to elucidate the complex phenomena observed in the resonant S K-edge KLL Auger scattering spectra of the SF6 molecule. A two-dimensional spectral map, constructed of incident photon energy and kinetic energy of the emitted Auger electron, is shown to be a versatile tool for understanding a character of the core-excited potential energy surface and change of the molecular geometry. Our findings reveal how the distinct dispersion behavior of multiple spectral lines enables mapping of ultrafast dynamics within the short-lived core-excited states. Our results confirm the presence of nuclear dynamics in the S1s-16a1g1 and S1s-16t1u1 core-excited states, while dynamics is absent in the S1s-17t1u1 state. Using a combination of ab initio analysis, simulations with Coulomb model potentials, and a simple analytical approximation, we qualitatively demonstrate how the varying characteristics of spectral dispersion - classified as Raman, non-Raman, and anti-Raman - mirror the relative gradients of the intermediate and final states in the resonant x-ray scattering process. This insight allows for the effective mapping of molecular potential energy curves, offering a prospective tool on the underlying mechanisms of resonant Auger scattering and its potential for probing molecular dynamics.
Place, publisher, year, edition, pages
American Physical Society (APS) , 2024. Vol. 110, no 6, article id 062814
National Category
Atom and Molecular Physics and Optics Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-358230DOI: 10.1103/PhysRevA.110.062814ISI: 001390164100001Scopus ID: 2-s2.0-85213023707OAI: oai:DiVA.org:kth-358230DiVA, id: diva2:1924864
Note
QC 20250121
2025-01-072025-01-072025-01-21Bibliographically approved