Тип публикации: статья из журнала
Год издания: 2024
Идентификатор DOI: 10.1103/physreva.110.062814
Аннотация: <jats:p>In this study, we integrate experimental observations and theoretical models to elucidate the complex phenomena observed in the resonant S <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mrow><a:mi>K</a:mi></a:mrow></a:math>-edge 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 <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"><c:mrow><c:mi mathvariant="normal">S</c:mi><c:mn>1</c:mn><c:msup><c:mi>s</c:mi><c:mrow><c:mo>−</c:mo><c:mn>1</c:mn></c:mrow></c:msup><c:mn>6</c:mn><c:msubsup><c:mi>a</c:mi><c:mrow><c:mn>1</c:mn><c:mi>g</c:mi></c:mrow><c:mn>1</c:mn></c:msubsup></c:mrow></c:math> and <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"><e:mrow><e:mi mathvariant="normal">S</e:mi><e:mn>1</e:mn><e:msup><e:mi>s</e:mi><e:mrow><e:mo>−</e:mo><e:mn>1</e:mn></e:mrow></e:msup><e:mn>6</e:mn><e:msubsup><e:mi>t</e:mi><e:mrow><e:mn>1</e:mn><e:mi>u</e:mi></e:mrow><e:mn>1</e:mn></e:msubsup></e:mrow></e:math> core-excited states, while dynamics is absent in the <g:math xmlns:g="http://www.w3.org/1998/Math/MathML"><g:mrow><g:mi mathvariant="normal">S</g:mi><g:mn>1</g:mn><g:msup><g:mi>s</g:mi><g:mrow><g:mo>−</g:mo><g:mn>1</g:mn></g:mrow></g:msup><g:mn>7</g:mn><g:msubsup><g:mi>t</g:mi><g:mrow><g:mn>1</g:mn><g:mi>u</g:mi></g:mrow><g:mn>1</g:mn></g:msubsup></g:mrow></g:math> state. Using a combination of 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.</jats:p> <jats:sec> <jats:title/> <jats:supplementary-material> <jats:permissions> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2024</jats:copyright-year> </jats:permissions> </jats:supplementary-material> </jats:sec>
Журнал: Physical Review A
Выпуск журнала: Т. 110, № 6
Номера страниц: 062814
ISSN журнала: 24699926
Издатель: American Physical Society