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

• Published in: Surface science Vol. 601; no. 16; pp. 3350 - 3360
• Main Authors: 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, WOODRUFF, D. P
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier Science 15-08-2007; Amsterdam; New York, NY
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Exact sciences and technology; Physics; Photoelectron diffraction; Transition elements; Vanadium; Vanadium oxide; Surface relaxation; Structure relaxation; Surface energy; Surface structure
• ISSN: 0039-6028; 1879-2758
• DOI: 10.1016/j.susc.2007.06.014

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 (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.