The Library

Photoelectron diffraction investigation of the structure of the clean TiO2(110)(1×1) surface

Tools

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. ISSN 1098-0121

PDF
WRAP_Woodruff_260510-tio2_clean_phd.pdf - Requires a PDF viewer.
Download (608Kb)

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:

Date	Event
15 May 2007	Published

Volume:

Vol.75

Number:

No.19

Page Range:

Article 5413

Identifier:

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)

References:

1 V. E. Henrich, P. A. Cox, The Surface Science of Metal Oxides, Cambridge University Press, Cambridge, 1996
2 D. P. Woodruff (ed.), The Chemical Physics of Solid Surfaces, vol 9, Oxide Surfaces, Elsevier, Amsterdam, 2001
3 U. Diebold, Surf. Sci. Rep. 48, 53 (2003)
4 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 (1997)
5 R. Lindsay, A. Wander, A. Ernst, B. Montanari, G. Thornton, and N..M. Harrison, Phys. Rev. Lett. 94, 246102 (2005)
6 G. S. Parkinson, M. A. Muñoz-Márquez, P. D. Quinn, M. J. Gladys, R. E. Tanner, D. P. Woodruff, P. Bailey, T. C. Q. Noakes, Phys. Rev. B 73, 245409 (2006)
7 V. Swamy, J. Muscat, J. D. Gale, and N. M. Harrison, Surf. Sci. 504, 115 (2002)
8 E. Asari, T. Suzuki, H. Kaeanowa, J. Ahn, W. Hayami, T. Aizawa, R. Souda, Phys. Rev. B 61, 5679 (2000)
9 E. Asari, R. Souda, Nucl. Instrum. Methods B 161-163, 396 (2000)
10 B. Hird, R. A. Armstrong, Surf. Sci. 420, L131 (1999)
11 A. Verdini, M. Sambi, F. Bruno, D. Cvetko, M. Della Negra, R. Gotter, L. Floreano, A. Morgante, G. A. Rizza, G. Granozzi, Surf. Rev. Lett. 6, 1201 (1999)
12 D. P. Woodruff, A. M. Bradshaw, Rep. Prog. Phys. 57, 1029 (1994)
13 D. P. Woodruff, Surf. Sci. Rep. 62, 1 (2007)
14 K. J. S. Sawhney, F. Senf, M. Scheer, F. Schäfers, J. Bahrdt, A. Gaupp, W. Gudat, Nucl. Instrum. Methods A 390, 395 (1997)
15 L.-Q. Wang, D. R. Baer, M. H. Engelhard, A. N. Shultz, Surf. Sci. 344, 237 (1995)
16 V. Fritzsche, J. Phys.: Condens. Matter 2, 1413 (1990)
17 V. Fritzsche, Surf. Sci. 265, 187 (1992)
18 V. Fritzsche, Surf. Sci. 213, 648 (1989)
19 D. B. McWhan, M. Marezio, J. P. Remeika, P. D. Dernier, Phys. Rev. B 10, 490 (1974)
20 J. B. Pendry, J. Phys.C: Solid State Phys. 13, 937 (1980)
21 N. A. Booth, R. Davis, R. Toomes, D. P. Woodruff, C. Hirschmugl, K.-M. Schindler, O. Schaff, V. Fernandez, A. Theobald, Ph. Hofmann, R. Lindsay, T. Giessel, P. Baumgärtel, A. M. Bradshaw, Surf. Sci. 387, 152 (1997)
22 L. I. Schiff, Quantum Mechanics, 3rd Ed. (McGraw-Hill, New York, 1968)
23 M.A. Van Hove, A. Barbieri, Private Communication
24 N. M. Harrison, X. -G. Wang, J. Muscat, and M. Scheffler, Faraday Discuss. 114, 305 (1999)
25 M. Ramamoorthy, D. Vanderbilt, Phys. Rev. B 49, 16721 (1994)
26 S. P. Bates, G. Kresse, M. J. Gillan, Surf. Sci. 385, 386 (1997)
27 P. J. D. Lindan, N. M. Harrison, M. J. Gillan, J. A. White, Phys. Rev. B 55, 15919 (1997)
28 D. Vogtenhuber, R. Podloucky, A. Neckel, S. G. Steinmann, A. J. Freemna, Phys. Rev. B 49, 2099 (1994)
29 P. Reinhardt, B. A. Hess, Phys. Rev. B 50, 12015 (1994)
30 S. J. Thompson and S. P. Lewis, Phys. Rev. B 73, 073403 (2006)