Electronic structure investigation of CoO by means of soft X-ray scattering

TL;DR

This study uses resonant inelastic soft X-ray scattering to analyze the electronic structure of CoO, identifying key excitations and charge-transfer processes with theoretical support from the Anderson model.

Contribution

It provides a detailed spectroscopic analysis of CoO's electronic structure using soft X-ray scattering and theoretical modeling, revealing specific excitation mechanisms.

Findings

Identification of Raman scattering contributions from d-d and charge-transfer excitations.

Dominance of quartet-quartet and quartet-doublet transitions near the L3 resonance.

Charge-transfer transitions to the 3d8L-1 state at satellite excitation energies.

Abstract

The electronic structure of CoO is studied by resonant inelastic soft X-ray scattering spectroscopy using photon energies across the Co 2p absorption edges. The different spectral contributions from the energy-loss structures are identified as Raman scattering due to d-d and charge-transfer excitations. For excitation energies close to the L3 resonance, the spectral features are dominated by quartet-quartet and quartet-doublet transitions of the 3d7 configuration. At excitation energies corresponding to the satellites in the Co 2p X-ray absorption spectrum of CoO, the emission features are instead dominated by charge-transfer transitions to the 3d8L-1 final state. The spectra are interpreted and discussed with the support of simulations within the single impurity Anderson model with full multiplet effects which are found to yield consistent spectral functions to the experimental data.