Chemical Bonding and Many-Body Effects in Site-Specific X-ray Photoelectron Spectra of Corundum V2O3
Site-specific x-ray photoelectron spectroscopy together with density functional theory calculations based on the local density approximation have identified the chemical bonding, single-particle matrix element, and many-body effects in the x-ray photoelectron spectrum of corundum V2O3. Significant covalent bonding in both the upper and lower lobes of the photoelectron spectrum is found, despite the localized nature of the V 3d electrons that are responsible for the Mott behavior. We show that the approximate treatment of correlation dominates the discrepancy between theory and experiment in the near-Fermi-edge region and that many-body effects of the photoemission process can be modeled by Doniach-Sunjic asymmetric loss. Correlation effects govern the relative intensity and energy position of the higher level electron bands, and many-body effects dominate the 'tail' region of both the upper and lower lobes of the photoemission spectrum.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
- Sponsoring Organization:
- Doe - Office Of Science
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 960005
- Report Number(s):
- BNL-82991-2009-JA; PRBMDO; TRN: US1005863
- Journal Information:
- Physical Review B: Condensed Matter and Materials Physics, Vol. 76, Issue 16; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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