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TT: Fachverband Tiefe Temperaturen

TT 47: Poster Session Correlated Electrons 2

TT 47.12: Poster

Mittwoch, 18. März 2020, 15:00–19:00, P2/3OG

LDA+DMFT Approach to Resonant Inelastic X-Ray Scattering in Correlated Materials — •Mathias Winder¹, Atsushi Hariki¹, and Jan Kuneš^1,2 — ¹Institute of Solid State Physics, TU Wien, 1040 Vienna, Austria — ²Institute of Physics, Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czechia

We present a computational study of L-edge resonant inelastic x-ray scattering (RIXS) in 3d transition-metal (TM) oxides: NiO; RNiO₃; Fe₂O₃; SrCoO₃, LaCoO₃ and LiCoO₂; LaCuO₃ and NaCuO₂ [1]. We apply exact diagonalization to a material specific Anderson impurity model with a by DMFT obtained hybridization function. In contrast to other available methods, this approach enables us to describe simultaneously localized (d-d) and delocalized (unbound electron-hole pair) excitations in the RIXS spectra. Our calculated results reproduce well the experimental data and RIXS can be used as a tool to study material-specific hybridization between x-ray excited TM ion and low-energy states.

[1] A. Hariki, M. Winder, and J. Kuneš, Phys. Rev. Lett. 121, 126403 (2018)