Erlangen 2018 – scientific programme
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A: Fachverband Atomphysik
A 18: Ultrafast Spectroscopy with XUV (joint session MO/A)
A 18.5: Talk
Monday, March 5, 2018, 17:30–17:45, PA 2.150
Electron spectra of a water molecule irradiated by an x-ray free-electron laser pulse — •Julia M. Schäfer1,2, Ludger Inhester1,3, Sang-Kil Son1, Reinhold F. Fink2, and Robin Santra1,3,4 — 1Center for Free-Electron Laser Science, DESY, Hamburg — 2Institut für Physikalische und Theoretische Chemie, Universität Tübingen — 3The Hamburg Center for Ultrafast Imaging, Hamburg — 4Fachbereich Physik, Universität Hamburg
With the high intensity X-ray light that is generated by X-ray free-electron lasers (XFELs) molecular samples can be ionized many times. We investigate the spectrum of electrons emitted from molecules exposed to these intense X-ray pulses. Calculated photoelectron and Auger electron spectra are presented for a single water molecule that reaches through repeated ionization steps many electronic hole configurations. The rich details in the spectra depend in a non-intuitive way on X-ray pulse parameters. We discuss how the observed trends can be explained by the competition of microscopic electronic processes. A detailed comparison between spectra calculated for independent atoms and spectra calculated for molecules is made. Our results demonstrate how multiple X-ray ionization related effects like Charge-Rearrangement-Enhanced X-ray Ionization in Molecules (CREXIM) and frustrated absorption manifest themselves in the electron spectra.