Assignment of the (1 × 2) surface of rutile TiO2 (110) from first principles

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 3, 2003, Pages 354211-354215

  Elliott, Simon D ^a,c   Bates, Simon P ^b  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b UNIVERSITY OF EDINBURGH   (United Kingdom)

^c UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

TITANIUM DIOXIDE;

ARTICLE; ATOMIC FORCE MICROSCOPY; CALCULATION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; CRYSTALLIZATION; ELECTRONICS; ENERGY; MATHEMATICAL ANALYSIS; SCANNING TUNNELING MICROSCOPY; VACUUM;

EID: 0037437832     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (31)

1. M. A. Henderson, Surf. Sci. 419, 174 (1999).
2. H. Onishi and Y. Iwasawa, Surf. Sci. 313, L783 (1994).
3. R. A. Bennett, P. Stone, N. J. Price, and M. Bowker, Phys. Rev. Lett. 82, 3831 (1999).
4. A. Szabo and T. Engel, Surf. Sci. 329, 241 (1995).
5. P. W. Murray, N. G. Condon, and G. Thornton, Phys. Rev. B 51, 10 989 (1995).
6. R. E. Tanner, M. R. Castell, and G. A. D. Briggs, Surf. Sci. 412/413, 672 (1998).
7. M. Li, W. Hebenstreit, and U. Diebold, Phys. Rev. B 61, 4926 (2000).
8. C. L. Pang, S. A. Haycock, H. Raza, P. W. Murray, G. Thornton, O. Gulseren, R. James, and D. W. Bullett, Phys. Rev. B 58, 1586 (1998).
9. K. I. Fukui, H. Onishi, and Y. Iwasawa, Phys. Rev. Lett. 79, 4202 (1997).
10. M. Ashino, T. Uchihashi, K. Yokoyama, Y. Sugawara, S. Morita, and M. Ishikawa, Phys. Rev. B 61, 13 955 (2000).
11. H. Onishi and Y. Iwasawa, Surf. Sci. 357-358, 773 (1996).
12. Q. Guo, I. Cocks, and E. M. Williams, Phys. Rev. Lett. 77, 3851 (1996).
13. S. D. Elliott and S. P. Bates, Surf. Sci. 495, 211 (2001).
14. U. Diebold, J. F. Anderson, K.-O. Ng, and D. Vanderbilt, Phys. Rev. Lett. 77, 1322 (1996).
15. Gülseren, R. James, and D. W. Bullett, Surf. Sci. 377-379, 150 (1997).
16. G. Kresse and J. Hafner, Phys. Rev. B 49, 14 251 (1994).
17. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996).
18. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
19. S. D. Elliott and S. P. Bates, Phys. Rev. B 65, 245415 (2002).
20. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhaus, Phys. Rev. B 46, 6671 (1992).
21. G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994).
22. J. C. Boettger, Phys. Rev. B 49, 16 798 (1994).
23. K. Reuter and M. Scheffler, Phys. Rev. B 65, 035406 (2001).
24. J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985).
25. W. A. Hofer and A. J. Fisher, Surf. Sci. 498, L65 (2002).
26. K.-O. Ng and D. Vanderbilt, Phys. Rev. B 56, 10 544 (1997).
27. D. Jung, H.-J. Koo, D. Dai, and M.-H. Whangbo, Surf. Sci. 473, 193 (2001).
28. J. Smith and D. A. Bonnell, Phys. Rev. B 62, 4720 (2000).
29. S. H. Ke, T. Uda, and K. Terakura, Appl. Surf. Sci. 188, 319 (2002).
30. CRC Handbook of Chemistry and Physics, 75th ed., edited by R. C. Weast (CRC, Boca Raton, FL, 1994).
31. e) (Ref. 30). Despite the discrepancy, this value would lead to the same conclusions about surface stability.