Core-level spectroscopy of transition metal oxides

Jan Kuneš

Institut für Festkörperphysik
TU Wien

Tuesday, 23th March 2021,16:00 s.t.

The will be held as a Zoom Meeting:
https://tuwien.zoom.us/j/96062751637?pwd=ZkRUWnlkUFFZb2pEdm55ZzFteTBNdz09
Meeting ID: 960 6275 1637     Passcode: 9ANd8XWj

Core-level spectroscopy of transition metal oxides

Improving energy resolution of core-level photoemission (XPS) experiments in the past ten years has lead to the realization that valuable information about the valence electronic structure can be obtained by this seemingly atomic probe. Similar improvements in resonant inelastic x-ray scattering (RIXS) made this originally chemists’ tool (eV scale) a precious part of physicists’ toolkit (10 meV scale). I will present a computational approach for simulation of core-level spectra based on combination of dynamical mean-field theory with a postprocessing using a specially tailored exact diagonalization method. I will discuss applications of this approach to the calculation of XPS, RIXS and x-ray absorption spectra of selected transition metal oxides such as LaCoO3, V2O3 or monoxides NiO and MnO.