Relaxation of TiO2(110)-( 1×1) Using Surface X-Ray Diffraction

G. Charlton, P. B. Howes, C. L. Nicklin, P. Steadman, J. S. G. Taylor, C. A. Muryn, S. P. Harte, J. Mercer, R. McGrath, D. Norman, T. S. Turner, and G. Thornton
Phys. Rev. Lett. 78, 495 – Published 20 January 1997
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Abstract

Surface x-ray diffraction has been used to determine the structural relaxations of TiO2(110)(1×1). The magnitudes range from 0 to 0.27 Å, leading to rumpling of the titanium planes. The data are compared to the results of three independent calculations of the energy minimized structure. Excellent agreement is achieved with the positions of titanium atoms predicted by Ramamoorthy et al. [Phys. Rev. B 49, 16 721 (1994)].

  • Received 8 May 1996

DOI:https://doi.org/10.1103/PhysRevLett.78.495

©1997 American Physical Society

Authors & Affiliations

G. Charlton1, P. B. Howes2, C. L. Nicklin3, P. Steadman3, J. S. G. Taylor3, C. A. Muryn1, S. P. Harte1, J. Mercer4, R. McGrath4, D. Norman5, T. S. Turner5, and G. Thornton1

  • 1IRC in Surface Science and Department of Chemistry, University of Manchester, Manchester M13 9PL, United Kingdom
  • 2Department of Physics and Astronomy, University of Wales College of Cardiff, P.O. Box 913, Cardiff CF2 3YB, United Kingdom
  • 3Department of Physics and Astronomy, University of Leicester, Leicester LE1 7RH, United Kingdom
  • 4IRC in Surface Science and Department of Physics, University of Liverpool, Liverpool L69 3BX, United Kingdom
  • 5CCLRC, Daresbury Laboratory, Warrington WA4 4AD, United Kingdom

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Vol. 78, Iss. 3 — 20 January 1997

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