Issue 11, 2022

Simulation of Auger decay dynamics in the hard X-ray regime: HCl as a showcase

Abstract

Auger decay after photoexcitation or photoemission of an electron from a deep inner shell in the hard X-ray regime can be rather complex, implying a multitude of phenomena such as multiple-step cascades, post-collision interaction (PCI), and electronic state-lifetime interference. Furthermore, in a molecule nuclear motion can also be triggered. Here we discuss a comprehensive theoretical method which allows us to analyze in great detail Auger spectra measured around an inner-shell ionization threshold. HCl photoexcited or photoionized around the deep Cl 1s threshold is chosen as a showcase. Our method allows calculating Auger cross sections considering the nature of the ground, intermediate and final states (bound or dissociative), and the evolution of the relaxation process, including both electron and nuclear dynamics. In particular, we show that we can understand and reproduce a so-called experimental 2D-map, consisting of a series of resonant Auger spectra measured at different photon energies, therefore obtaining a detailed picture of all above-mentioned dynamical phenomena at once.

Graphical abstract: Simulation of Auger decay dynamics in the hard X-ray regime: HCl as a showcase

Supplementary files

Article information

Article type
Paper
Submitted
11 дек 2021
Accepted
17 фев 2022
First published
17 фев 2022
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2022,24, 6590-6604

Simulation of Auger decay dynamics in the hard X-ray regime: HCl as a showcase

G. Goldsztejn, R. Guillemin, T. Marchenko, O. Travnikova, D. Céolin, L. Journel, M. Simon, M. N. Piancastelli and R. Püttner, Phys. Chem. Chem. Phys., 2022, 24, 6590 DOI: 10.1039/D1CP05662J

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