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Chemical Bonding and Many-Body Effects in Site-Specific X-Ray Photoelectron Spectra of Corundum V2O3

Published

Author(s)

Joseph C. Woicik, M Yekutiel, Thomas L. Nelson, N Jacobson, P Pfalzer, L Kronik

Abstract

We have used site-specific x-ray photoelectron spectroscopy (SSXPS) to measure chemical bonding, matrix element, and many-body effects in the x-ray photoelectron spectra of Corundum V2O3. Significant covalent bonding in both the upper and lower lobes of the photoemission data is identified, despite the localized nature of the V 3d electrons that are responsible for the Mott behavior. Furthermore, we show that much of the disagreement between density functional theory calculations using the local density approximation (LDA) and the experimental photoemission spectra are due to single-particle matrix element effects and many-body asymmetric loss features, both intrinsic to the photoemission process.
Citation
Physical Review B (Condensed Matter and Materials Physics)
Volume
76

Keywords

density functional theory, site specific electronic structure, V2O3

Citation

Woicik, J. , Yekutiel, M. , Nelson, T. , Jacobson, N. , Pfalzer, P. and Kronik, L. (2007), Chemical Bonding and Many-Body Effects in Site-Specific X-Ray Photoelectron Spectra of Corundum V<sub>2</sub>O<sub>3</sub>, Physical Review B (Condensed Matter and Materials Physics) (Accessed April 12, 2024)
Created April 26, 2007, Updated February 19, 2017