Photoelectron and Auger spectroscopy

People

Project coordinator: Sergey Bokarev
Co-workers: Gilbert Grell, Tobias Möhle
Collaborations: Bernd Winter (HMZ Berlin), Igor Kiyan (HMZ Berlin), Michael Odelius (Stockholm University), Ralf Zimmermann (HMZ München)

Project description

The valence and core photoelectron (photon-in/electron-out) spectroscopy along with optical (photon-in/photon-out) techniques is one of the most popular X-ray spectroscopic methods. In case of excitation to highly excited core states, the Auger decay mechanism which also results in the emission of electron needs to be considered in addition. Unified description of all relevant processes allows for analysis of intricate interplay between radiative and non-radiative decay channels featuring the details of electronic structure and dynamics of system under investigation.Here we develop a Dyson orbital based approach for an accurate description of photoelectron and Auger cross sections on the basis of multi-reference as well as optimally tuned time-dependent density functional theory methods. The theoretical protocol is applied to interpretation of the experimental steady-state as well as time-resolved pump-probe spectra.

Publications

  1. R. Golnak, S. I. Bokarev, R. Seidel, J. Xiao, G. Grell, K. Atak, I. Unger, S. Thürmer, S. G. Aziz, O. Kühn, B. Winter, E.F. Aziz
    Joint Analysis of Radiative and Non-Radiative Electronic Relaxation Upon X-ray Irradiation of Transition Metal Aqueous Solutions Sci. Rep. 6, 24659 (2016)
  2. G. Grell, S. I. Bokarev, B. Winter, R. Seidel, E. F. Aziz, S. G. Aziz, O. Kühn
    Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling
    J. Chem. Phys. 143, 074104 (2015)

Financing

Deanship of Scientific Research (DSR), King Abdulaziz University, Jeddah, (Grant No. D-003-435)