English

All-electron many-body approach to resonant inelastic x-ray scattering

Materials Science 2022-08-17 v1

Abstract

We present a formalism for the resonant inelastic x-ray scattering (RIXS) cross section. The resulting compact expression in terms of polarizability matrix elements, particularly lends itself to the implementation in an all-electron many-body perturbation theory (MBPT) framework, which is realized in the full-potential package exciting. With the carbon K edge RIXS of diamond and the oxygen K edge RIXS of βGa2O3\beta-\mathrm{Ga_2 O_3}, respectively, we demonstrate the importance of electron-hole correlation and atomic coherence in the RIXS spectra.

Keywords

Cite

@article{arxiv.2205.05201,
  title  = {All-electron many-body approach to resonant inelastic x-ray scattering},
  author = {Christian Vorwerk and Francesco Sottile and Claudia Draxl},
  journal= {arXiv preprint arXiv:2205.05201},
  year   = {2022}
}