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Photoelectron diffraction investigation of the structure of the clean TiO2(110)(1x1) surface
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Kroeger, E. A., Sayago, D. I., Allegretti, F., Knight, M. J., Polcik, M., Unterberger, W. (Werner), Lerotholi, T. J., Hogan, K. A., Lamont, C. L. A. and Woodruff, D. P. (2007) Photoelectron diffraction investigation of the structure of the clean TiO2(110)(1x1) surface. Physical Review, B: Condensed Matter and Materials Physics, 75 (19). doi:10.1103/PhysRevB.75.195413 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.75.195413
Abstract
The surface relaxations of the rutile TiO2 (110) (1x1) clean surface have been determined by O 1 s and Ti 2p(3/2) scanned-energy mode photoelectron diffraction. The results are in excellent agreement with recent low-energy electron diffraction (LEED) and medium energy ion scattering (MEIS) results, but in conflict with the results of some earlier investigations including one by surface x-ray diffraction. In particular, the bridging O atoms at the surface are found to relax outward, rather than inward, relative to the underlying bulk. Combined with the recent LEED and MEIS results, a consistent picture of the structure of this surface is provided. While the results of the most recent theoretical total-energy calculations are qualitatively consistent with this experimental consensus, significant quantitative differences remain.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QC Physics | ||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
Journal or Publication Title: | Physical Review, B: Condensed Matter and Materials Physics | ||||
Publisher: | American Physical Society | ||||
ISSN: | 1098-0121 | ||||
Official Date: | May 2007 | ||||
Dates: |
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Volume: | 75 | ||||
Number: | 19 | ||||
Number of Pages: | 10 | ||||
DOI: | 10.1103/PhysRevB.75.195413 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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