Experimental assignment of many-electron excitations in the photo-ionization of NiO
arXiv:1805.05455 · doi:10.1103/PhysRevB.97.245142
Abstract
The absorption of a photon and the emission of an electron is not a simple, two-particle process. The complicated many-electron features observed during core photo-ionization can therefore reveal many of the hidden secrets about the ground and excited-state electronic structures of a material. Careful analysis of the photon-energy dependence of the Ni KLL Auger de-excitation spectra at and above the Ni 1s photo-ionization threshold has identified the satellite structure that appears in both the photo-electron emission and the x-ray absorption spectra of NiO as Ni metal 3d eg -> Ni metal 3d eg and O ligand 2p eg -> Ni metal 3d eg charge-transfer excitations, respectively. These assignments elucidate the conflicting theoretical predictions of the last five decades in addition to other anomalous effects in the spectroscopy of this unique material.
arXiv comment5 pages and 6 figures
References in corpus (7)
- Multiplet ligand-field theory using Wannier orbitals
- Revisiting the valence-band and core-level photoemission spectra of NiO
- LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
- Real time cumulant approach for charge transfer satellites in x-ray photoemission spectra
- K-edge X-ray absorption spectra in transition metal oxides beyond the single particle approximation: shake-up many body effects
- High photon energy spectroscopy of NiO: experiment and theory
- Charge transfer satellites in x-ray spectra of transition metal oxides