Dresden 2020 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 4: Complex Oxides: Bulk Properties (jointly with DS, HL, KFM, MA, O) (joint session TT/HL/MA)

HL 4.6: Talk

Monday, March 16, 2020, 10:45–11:00, HSZ 201

LDA+DMFT Approach to Resonant Inelastic X-Ray Scattering in Rare-Earth Nickelates — •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) across the metal-insulator transition (MIT) of LuNiO₃. 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. We reproduce the experimentally observed behaviour of fluorescence-like and Raman-like features across the MIT and provide its material specific interpretation.