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Photoelectron diffraction investigation of the structure of the clean TiO2(110)(1×1) surface
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Kröger, 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)(1×1) surface. Physical Review B (Condensed Matter and Materials Physics), Vol.75 (No.19). Article 5413. doi:10.1103/PhysRevB.75.195413
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Official URL: http://dx.doi.org/10.1103/PhysRevB.75.195413
Abstract
The surface relaxations of the rutile TiO2(110)(1×1) clean surface have been determined by O 1 s and Ti 2p3∕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 | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics | ||||
| Divisions: | Faculty of Science > Physics | ||||
| Library of Congress Subject Headings (LCSH): | Surfaces (Physics) -- Research, Electrons -- Diffraction, Ions -- Scattering, X-rays -- Diffraction | ||||
| Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||
| Publisher: | American Physical Society | ||||
| ISSN: | 1098-0121 | ||||
| Official Date: | 15 May 2007 | ||||
| Dates: |
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| Volume: | Vol.75 | ||||
| Number: | No.19 | ||||
| Page Range: | Article 5413 | ||||
| DOI: | 10.1103/PhysRevB.75.195413 | ||||
| Status: | Peer Reviewed | ||||
| Access rights to Published version: | Open Access | ||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC), Deutsche Forschungsgemeinschaft (DFG) |
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