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

SURFACE SCIENCE

卷:601

Article

Kroeger, E. A. ; Sayago, D. I. ; Allegretti, F. ; Knight, M. J. ; Polcik, M. ; Unterberger, W. ; Lerotholi, T. J. ; Hogan, K. A. ; Lamont, C. L. A. ; Woodruff, D. P.

关键词: surface relaxation;    surface structure;    vanadium oxide;    photoelectron diffraction;   

DOI  :  10.1016/j.susc.2007.06.014

来源: Elsevier

【 摘 要 】

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(0001) surface. The results support a strongly-relaxed half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0001) and Cr2O3(0001) 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 (V=O) 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. (C) 2007 Elsevier B.V. All rights reserved.

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