X-ray spectroscopy of rare-earth nickelate LuNiO${}_3$: LDA+DMFT study

Abstract

We present a computational study of resonant inelastic x-ray scattering (RIXS) and x-ray absorption in a representative rare-earth nickelate LuNiO${}_3$. We study the changes in the spectra across the metal-insulator/site-disproportionation transition. In particular, we address the question of site-selectivity of the two methods in the disproportionated insulating phase and the signature of metal-insulator transition in the fluorescence-like feature of the RIXS spectra. To this end we use the local density approximation + dynamical mean-field theory (LDA+DMFT) approach combined with configuration integration method to compute the core-level spectra.

References in corpus (5)

• Ground state oxygen holes and the metal-insulator transition in the negative charge transfer rare-earth nickelates
• Bond disproportionation and dynamical charge fluctuations in the perovskite rare earth nickelates
• Double Counting in LDA+DMFT - The Example of NiO
• Low-energy description of the metal-insulator transition in the rare-earth nickelates
• Resonant inelastic x-ray scattering study of bond order and spin excitations in nickelate thin-film structures