X-ray spectroscopy of the rare-earth nickelate LuNiO3: LDA+DMFT study

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