Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra of Rutile<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="bold">T</mml:mi><mml:mi mathvariant="bold">i</mml:mi><mml:msub><mml:mi mathvariant="bold">O</mml:mi><mml:mn mathvariant="bold">2</mml:mn></mml:msub></mml:math>

C. Woicik, J.; J. Nelson, Erik; Kronik, Leeor; Jain, Manish; R. Chelikowsky, James; Heskett, D.; E. Berman, L.; S. Herman, Gregory

doi:10.1103/physrevlett.89.077401

Public

Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra of RutileTiO2

Published in Physical Review Letters • Jul 26, 2002

Authors:

J. C. Woicik

Erik J. Nelson

Leeor Kronik

Abstract

We have determined the Ti and O components of the rutile TiO2 valence band using the method of site-specific x-ray photoelectron spectroscopy. Comparisons with calculations based on pseudopotentials within the local density approximation reveal the hybridization of the Ti 3d, 4s, and 4p states, and ...

Subject

Rutile

X-ray photoelectron spectroscopy

Spectral line

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