Realistic molecular distortions and strong substrate buckling induced by the chemisorption of benzene on Ni{111}

Journal of Chemical Physics

Volumn 105, Issue 24, 1996, Pages 11305-11312

  Held, G ^a,b   Bessent, M P ^a   Titmuss, S ^a   King, D A ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000748227     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472870     Document Type: Article

References (39)

1. M. A. Van Hove, R. F. Lin, and G. A. Somorjai, J. Am. Chem. Soc. 108, 2532 (1986).
2. R. F. Lin, G. S. Blackmann, M. A. Van Hove, and G. A. Somorjai, Acta Crystallogr. Sect. B 43, 368 (1987).
3. D. F. Ogletree, M. A. Van Hove, and G. A. Somorjai, Surf. Sci. 183, 1 (1987).
4. H. Ohtani, M. A. Van Hove, and G. A. Somorjai, J. Phys. Chem. 92, 3974 (1988).
5. A. Wander, G. Held, R.Q. Hwang, M. L. Xu, P. de Andres, M. A. Van Hove, and G. A. Somorjai, Surf. Sci. 249, 21 (1991).
6. B. E. Koel, J. E. Crowell, C. M. Mate, and G. A. Somorjai, J. Phys. Chem. 88, 1988 (1984).
7. C. M. Mate and G. A. Somorjai, Surf. Sci. 160, 542 (1985).
8. M. Neumann, J. U. Mack, E. Bertel, and F. P. Netzer, Surf. Sci. 155, 629 (1985).
9. E. Bertel, G. Rosina, and F. P. Netzer, Surf. Sci. Lett. 172, L515 (1986).
10. A. Barbieri, M. A. Van Hove, and G. A. Somorjai, Surf. Sci. 306, 261 (1994).
11. C. Stellwag, G. Held, and D. Menzel, Surf. Sci. Lett. 325, L379 (1995).
12. P. Jakob and D. Menzel, Surf. Sci. 201, 503 (1988).
13. P. A. Heimann, P. Jakob, T. Pache, H.-P. Steinrück, and D. Menzel, Surf. Sci. 210, 282 (1989).
14. S. Lehwald, H. Ibach, and J. E. Demuth, Surf. Sci. 78, 577 (1978).
15. W. Huber, H.-P. Steinrück, T. Pache, and D. Menzel, Surf. Sci. 217, 103 (1989).
16. W. Huber, P. Zebisch, T. Bomemann and H.-P. Steinrück, Surf. Sci. 258, 293 (1991).
17. H.-P. Steinrück, W. Huber, T. Pache, and D. Menzel, Surf. Sci. 218, 293 (1989).
18. O. Schaff, V. Fernandez, Ph. Hofmann, K.-M. Schindler, A. Theobald, V. Fritzsche, A. M. Bradshaw, R. Davis, and P. D. Woodruff, Surf. Sci. 348, 89 (1996).
19. P. Hu, L. Morales de le Garza, R. Raval, and D. A. King, Surf. Sci. 249, 1 (1991).
20. P. Hu, C. J. Barnes, and D. A. King, Phys. Rev. B 45, 13 595 (1992).
21. J. E. Demuth and T. N. Rhodin, Surf. Sci. 42, 261 (1974).
22. G. Held, A. Wander, and D. A. King (unpublished).
23. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes in C (Cambridge University Press, Cambridge, UK, 1988).
24. J. A. Nedler and R. Mead, Comput. J. 7, 308 (1965).
25. R. P. Brent, Algorithms for Minimization without Derivatives (Prentice Hall, Englewood Cliffs, NJ, 1973), Chap. 7.
26. J. H. Holland, Adaption in Natural and Artificial Systems (University of Michigan P., Ann Arbor, 1975).
27. D. E. Goldberg, Genetic Algorithms in Search, Optimization and Machine Learning (Addison-Wesley, Reading, MA, 1989).
28. M. A. Van Hove, W. H. Weinberg, C.-M. Chan, Low-Energy Electron Diffraction (Springer, Berlin, Heidelberg, New York, 1986).
29. J. B. Pendry, J. Phys. C 13, 937 (1980).
30. G. Held, H. Pfnür, and D. Menzel, Surf. Sci. 271, 21 (1992).
31. J. B. Pendry, Low Energy Electron Diffraction (Academic, London, 1974).
32. M. A. Van Hove and S. Y. Tong, Surface Crystallography by LEED (Springer, Berlin, Heidelberg, New York, 1979).
33. P. J. Rous and J. B. Pendry, Surf. Sci. 219, 355 (1989).
34. P. J. Rous, M. A. Van Hove, and G. A. Somorjai, Surf. Sci. 226, 15 (1990).
35. V. L. Moruzzi, J. F. Janak, and A. R. Williams, Calculated Electronic Properties of Metals (Pergamon, New York, 1978).
36. G. Held, A. Wander, and D. A. King, Phys. Rev. B 51, 17 856 (1995).
37. R. Weimar, M. Stichler, and D. Menzel (unpublished).
38. M. Methfessel, D. Henning, and M. Scheffler, Phys. Rev. B 46, 4816 (1992).
39. A. Wander, J. B. Pendry, and M. A. Van Hove, Phys. Rev. B 46, 9897 (1990).