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

By E. A. Kröger, D. I. Sayago, F. Allegretti, M. J. Knight, M. Polcik, W. (Werner) Unterberger, T. J. Lerotholi, K. A. Hogan, C. L. A. Lamont and D. P. Woodruff


Scanned-energy mode photoelectron diffraction (PhD), using the O 1s and V 2p\ud photoemission signals, together with multiple-scattering simulations, have been used to\ud investigate the structure of the V2O3(0001) surface. The results support a strongly-relaxed\ud half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0001)\ud and Cr2O3(0001) surfaces based on low energy electron and surface X-ray diffraction\ud methods. However, the PhD investigation fails to provide definitive evidence for the\ud presence or absence of surface vanadyl (V=O) species associated with atop O atoms on\ud the surface layer of V atoms. Specifically, the best-fit structure does not include these\ud vanadyl species, although an alternative model with similar relaxations but including\ud vanadyl O atoms yields a reliability-factor within the variance of that of the best-fit\ud structure

Topics: QD, QC
Publisher: Elsevier BV
Year: 2007
OAI identifier:

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