Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-ray Scattering

Abstract

We present a theoretical investigation of the origin of Raman-like and fluorescencelike (FL) features of resonant inelastic x-ray scattering (RIXS) spectra. Using a combination of local-density approximation + dynamical mean-field theory and a configuration interaction solver for Anderson impurity model, we calculate the $L$-edge RIXS and x-ray absorption spectra of high-valence transition-metal oxides LaCuO${}_3$ and NaCuO${}_2$. We analyze in detail the behavior of the FL feature and show how it is connected to the details of electronic and crystal structure. On the studied compounds we demonstrate how material details determine whether the electron-hole continuum can be excited in the $L$-edge RIXS process.

References in corpus (5)

• Ground state oxygen holes and the metal-insulator transition in the negative charge transfer rare-earth nickelates
• Efficient implementation of core-excitation Bethe Salpeter equation calculations
• LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
• Doping Dependence of Collective Spin and Orbital Excitations in Spin 1 Quantum Antiferromagnet La${}_{2-x}$Sr${}_x$NiO${}_4$ Observed by X-rays
• Raman and fluorescence contributions to resonant inelastic soft x-ray scattering on LaAlO${}_3$/SrTiO${}_3$ heterostructures

Cited by in corpus (23)

• X-ray Magnetic Circular Dichroism in Altermagnetic $\alpha$-MnTe
• LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
• Charge-transfer effect in hard x-ray 1$s$ and 2$p$ photoemission spectra: LDA+DMFT and cluster-model analysis
• EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering
• Strain-engineering of the charge and spin-orbital interactions in Sr2IrO4
• Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study
• X-ray Magnetic Circular Dichroism in RuO${}_2$
• Photo-induced nonequilibrium states in Mott insulators
• The Wannier Function Software Ecosystem for Materials Simulations
• X-ray spectroscopy of rare-earth nickelate LuNiO${}_3$: LDA+DMFT study
• Role of Oxygen States in the Low Valence Nickelate La${}_4$Ni${}_3$O${}_8$
• Simulation of time-dependent resonant inelastic X-ray scattering using non-equilibrium dynamical mean-field theory
• Resonant inelastic x-ray scattering study of bond order and spin excitations in nickelate thin-film structures
• Circular Dichroism in Resonant Inelastic X-ray Scattering: Probing Altermagnetic Domains in MnTe
• Single- and Multimagnon Dynamics in Antiferromagnetic $\alpha$-Fe${}_2$O${}_3$ Thin Films
• Nonequilibrium RIXS study of an electron-phonon model
• Orbital polarization, charge transfer, and fluorescence in reduced valence nickelates
• Local interpretation of time-resolved X-ray absorption in Mott insulators: Insights from nonequilibrium dynamical mean-field theory
• Measuring the ultrafast screening of $U$ in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy
• High-resolution valence band RIXS at the actinide M${}_{4,5}$-edges
• Nonequilibrium DMFT approach to time-resolved Raman spectroscopy
• Computing local multipoint correlators using the numerical renormalization group
• Nonequilibrium-DMFT based RIXS investigation of the two-orbital Hubbard model