Revisiting the surface structure of TiO2(110): A quantitative low-energy electron diffraction study

Physical Review Letters

Volumn 94, Issue 24, 2005, Pages

  Lindsay, R ^a   Wander, A ^b   Ernst, A ^c   Montanari, B ^d   Thornton, G ^e   Harrison, N M ^b,d  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b DARESBURY LABORATORY   (United Kingdom)

^c MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

^d IMPERIAL COLLEGE LONDON   (United Kingdom)

^e UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADJUSTABLE PARAMETERS; PROTOTYPICAL METAL OXIDE SURFACES; QUANTITATIVE LOW-ENERGY ELECTRON DIFFRACTION; SOFT SURFACE VIBRATIONAL MODES;

ELECTRON DIFFRACTION; ELECTRON SCATTERING; MOLECULAR VIBRATIONS; OPTIMIZATION; PHASE SHIFT; SURFACE STRUCTURE;

TITANIUM COMPOUNDS;

EID: 27744531029     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.246102     Document Type: Article

References (29)

1. P.R. Watson, M.A. Van Hove, and K. Hermann, NIST Surface Structure Database (National Institute of Standards and Technology, Gaithersburg, MD, 2001), Version 4.0.
2. G. Renaud and A. Barbier, in The Chemical Physics of Solid Surfaces: Oxide Surfaces, edited by, D.P. Woodruff, (Elsevier Science, Amsterdam, 2001), Vol. 9, Chap.
3. V. Swamy, J. Muscat, J.D. Gale, and N.M. Harrison, Surf. Sci. SUSCAS 0039-6028 504, 115 (2002). 10.1016/S0039-6028(01)01925-2
4. U. Diedold, Surf. Sci. Rep. 48, 53 (2003). SSREDI 0167-5729 10.1016/S0167-5729(02)00100-0
5. J.B. Pendry, Low Energy Electron Diffraction (Academic Press, New York, 1974).
6. N.M. Harrison, X.-G. Wang, J. Muscat, and M. Scheffler, Faraday Discuss. FDISE6 0301-7249 114, 305 (1999). 10.1039/a906386b
7. 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). PRLTAO 0031-9007 10.1103/PhysRevLett. 78.495
8. P. Reinhardt and B.A. Heß, Phys. Rev. B PRBMDO 0163-1829 50, 12015 (1994). 10.1103/PhysRevB.50.12015
9. M. Ramamoorthy, D. Vanderbilt, and R.D. King-Smith, Phys. Rev. B PRBMDO 0163-1829 49, 16721 (1994). 10.1103/PhysRevB.49.16721
10. P.J.D. Lindan, N.M. Harrison, M.J. Gillan, and J.A. White, Phys. Rev. B PRBMDO 0163-1829 55, 15919 (1997). 10.1103/PhysRevB.55.15919
11. S.P. Bates, G. Kresse, and M.J. Gillan, Surf. Sci. SUSCAS 0039-6028 385, 386 (1997). 10.1016/S0039-6028(97)00265-3
12. M.A. Van Hove and S.Y. Tong, Surface Crystallography by Low Energy Electron Diffraction: Theory, Computation and Structural Results (Springer, Heidelberg, 1979).
13. G. Charton, Ph.D. thesis, University of Manchester, 1997.
14. J.B. Pendry, J. Phys. C JPSOAW 0022-3719 13, 937 (1980). 10.1088/0022-3719/13/5/024
15. A. Barbieri and M.A. Van Hove (private communication);
16. http://www.sitp.lbl.gov/index.php?content=/leedpack/leedpack.html
17. A. Wander, Comput. Phys. Commun. CPHCBZ 0010-4655 137, 4 (2001). 10.1016/S0010-4655(01)00168-0
18. A. Barbieri, W. Weiss, M.A. Van Hove, and G.A. Somorjai, Surf. Sci. SUSCAS 0039-6028 302, 259 (1994). 10.1016/0039-6028(94)90832-X
19. DL_PHASE is available from http://www.ccp3.ac.uk.
20. V.R. Saunders, R. Dovesi, C. Roetti, R. Orlando, C.M. Zicovich-Wilson, N.M. Harrison, K. Doll, B. Civalleri, I. Bush, Ph. D'Arco, and M. Llunell, Crystal 2003 User's Manual (University of Turin, Turin, 2003).
21. J.P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 45, 13244 (1992). 10.1103/PhysRevB.45.13244
22. A. Ernst, M. Lüders, W.M. Temmerman, Z. Szotek, and G. van der Laan, J. Phys. Condens. Matter JCOMEL 0953-8984 12, 5599 (2000). 10.1088/0953-8984/ 12/26/306
23. A.L. Ankudinov, B. Ravel, J.J. Rehr, and S.D. Conradson, Phys. Rev. B PRBMDO 0163-1829 58, 7565 (1998). 10.1103/PhysRevB.58.7565
24. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne, J. Phys. Condens. Matter JCOMEL 0953-8984 14, 2717 (2002). 10.1088/0953-8984/14/11/301
25. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 41, R7892 (1990). 10.1103/PhysRevB.41.7892
26. J. Muscat, N.M. Harrison, and G. Thornton, Phys. Rev. B PRBMDO 0163-1829 59, 2320 (1999). 10.1103/PhysRevB.59.2320
27. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980). PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
28. C. Lee, Ph. Ghosez, and X. Gonze, Phys. Rev. B PRBMDO 0163-1829 50, 13379 (1994). 10.1103/PhysRevB.50.13379
29. G.P. Srivastava, The Physics of Phonons (Adam Hilger, Bristol, 1990).