Geometric structure of TiO{sub 2}(110)(1x1): Achieving experimental consensus

Journal Article · Fri Jun 15 00:00:00 EDT 2007 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PHYSREVB.75.241403· OSTI ID:20951554

Cabailh, G; Thornton, G ^[1]; Torrelles, X ^[2]; Lindsay, R ^[3]; Bikondoa, O; Joumard, I; Zegenhagen, J ^[4]

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1. London Centre for Nanotechnology and Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ (United Kingdom)
2. Institut de Ciencia de Materials de Barcelona (CSIC), Campus UAB, 08193 Bellaterra (Spain)
3. Corrosion and Protection Centre, School of Materials, The University of Manchester, P.O. Box 88, Manchester M60 1QD (United Kingdom)
4. ESRF, 6 rue Jules Horowitz, F-38043 Grenoble cedex (France)

Surface x-ray diffraction has been employed to elucidate the surface structure of TiO{sub 2}(110)(1x1). The atomic coordinates emerging from this study are in excellent agreement with those derived in other recent quantitative structure determinations of this surface. Most importantly, debate over the relaxation of the surface bridging oxygen has been resolved. In a previous surface x-ray diffraction study, it was concluded that this atom relaxes toward the bulk by 0.27{+-}0.08 A, whereas in this present work we determined this displacement to be 0.10{+-}0.04 A away from the bulk, which is in accord with the results of other experimental techniques.

• OSTI ID: 20951554
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 75, Issue 24; Other Information: DOI: 10.1103/PhysRevB.75.241403; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMS
OXYGEN
RELAXATION
RINGS
SURFACES
TITANIUM OXIDES
X-RAY DIFFRACTION