@conference{Schaefer18a, author={Julia M. Sch{\"a}fer and Ludger Inhester and Sang-Kil Son and Reinhold F. Fink and Robin Santra}, title={Electron spectra of a water molecule irradiated by an x-ray free-electron laser pulse}, year={2018}, month={March 4-9}, booktitle={DPG Spring Meeting of the Section AMOP}, organization={German Physical Society}, address={Erlangen, Germany}, keywords={XMOLECULE; H2O; CREXIM; frustrated absorption; XFEL; CFEL; DESY;}, url={https://www.dpg-verhandlungen.de/year/2018/conference/erlangen/part/mo/session/8/contribution/5}, abstract={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.
}
}