Dynamics and Spectral Weights of Shake-up Valence Excitations in Transition Metal K-edge Resonant Inelastic X-ray Scattering

TL;DR

This paper models and interprets RIXS spectra at transition metal K-edges, revealing how valence excitation probabilities depend on asymmetric screening dynamics, with implications for understanding electronic excitations in metals and insulators.

Contribution

It introduces a model Hamiltonian to analyze RIXS data, highlighting the role of screening dynamics in valence excitation probabilities.

Findings

Excitation probabilities depend on total energy and screening asymmetry.

Calculated spectra differentiate metals and insulators.

Screening dynamics influence valence excitation features.

Abstract

Using a model Hamiltonian, we discuss how we could interpret data obtained from transition metal $K$-edge resonant inelastic x-ray scattering (RIXS) experiments. By analyzing the creation of valence excitations from the screening of the core hole and calculating corresponding RIXS spectra for metals and insulators, we find that the probability for excitations depends not only on the total energy but also on the asymmetric screening dynamics between electrons and holes.