The structure of the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study

Kröger, E. A., Sayago, D. I., Allegretti, F., Knight, M. J., Polcik, M., Unterberger, W., Lerotholi, T.J., Hogan, K.A., Lamont, C.L.A. and Woodruff, D.P. (2007) The structure of the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study. Surface Science, 601 (16). pp. 3350-3360. ISSN 00396028

Abstract

Scanned-energy mode photoelectron diffraction (PhD), using the O 1s and V 2p photoemission signals, together with multiple-scattering simulations, have been used to investigate the structure of the V2O3(0 0 0 1) surface. The results support a strongly-relaxed half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0 0 0 1) and Cr2O3(0 0 0 1) surfaces based on low energy electron and surface X-ray diffraction methods. However, the PhD investigation fails to provide definitive evidence for the presence or absence of surface vanadyl (VO) species associated with atop O atoms on the surface layer of V atoms. Specifically, the best-fit structure does not include these vanadyl species, although an alternative model with similar relaxations but including vanadyl O atoms yields a reliability-factor within the variance of that of the best-fit structure.

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