LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
Strongly Correlated Electrons
2020-03-25 v2 Materials Science
Abstract
We present a computational study of -edge resonant inelastic x-ray scattering (RIXS) in correlated 3 transition-metal oxides using an method based on local density approximation + dynamical mean-field theory (DMFT). The present method, building on Anderson impurity model with an optimized continuum bath within DMFT, is an extension of the cluster model to include unbound electron-hole pair excitations as well as material-specific charge-transfer excitations with less empirical parameters. We find a good agreement with available experimental data. The relationship between correlated bands and fluorescence-like feature in the RIXS spectra is discussed.
Keywords
Cite
@article{arxiv.1911.10366,
title = {LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials},
author = {Atsushi Hariki and Mathias Winder and Takayuki Uozumi and Jan Kuneš},
journal= {arXiv preprint arXiv:1911.10366},
year = {2020}
}