Adsorption energies and ordered structures of hydrogen on Pd(111) from density-functional periodic calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 16, 1998, Pages 10890-10898

  Lovvik O ^a   Olsen, R ^b  

^a UNIVERSITY OF OSLO   (Norway)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0542446055     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.10890     Document Type: Article

References (37)

1. W. M. Mueller, J. P. Blackledge, and G. G. Libowitz, Metal Hydrides (Academic Press, New York, 1968).
2. Hydrogen in Metals, edited by G. Alefeld and J. Völkl (Springer-Verlag, Berlin, 1978).
3. Y. Fukai, The Metal-Hydrogen System (Springer-Verlag, Berlin, 1993).
4. Hydrogen in Metals III. Properties and Applications, edited by H. Wipf (Springer-Verlag, Berlin, 1997).
5. K. Christmann, Surf. Sci. Rep. 9, 1 (1988).
6. H. Conrad, G. Ertl, and E. E. Latta, Surf. Sci. 41, 435 (1974).
7. T. Engel and H. Kuipers, Surf. Sci. 90, 162 (1979).
8. W. Eberhardt, F. Greuter, and E. W. Plummer, Phys. Rev. Lett. 46, 1085 (1981).
9. W. Eberhardt, S. G. Louie, and E. W. Plummer, Phys. Rev. B 28, 465 (1983).
10. G. E. Gdowski, T. E. Felter, and R. H. Stulen, Surf. Sci. Lett. 181, L147 (1987).
11. G. E. Gdowski, R. H. Stulen, and T. E. Felter, J. Vac. Sci. Technol. A 5, 1103 (1987).
12. G. D. Kubiak and R. H. Stulen, J. Vac. Sci. Technol. A 4, 1427 (1986).
13. T. E. Felter, E. C. Sowa, and M. A. Van Hove, Phys. Rev. B 40, 891 (1989).
14. K. Christmann, G. Ertl, and O. Schober, Surf. Sci. 40, 61 (1973).
15. T. E. Felter, S. M. Foiles, M. S. Daw, and R. H. Stulen, Surf. Sci. Lett. 171, L379 (1986).
16. C.-H. Hsu, B. E. Larson, M. El-Batanouny, C. R. Willis, and K. M. Martini, Phys. Rev. Lett. 66, 3164 (1991).
17. M. S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984).
18. M. S. Daw and S. M. Foiles, Phys. Rev. B 35, 2128 (1987).
19. H. Ezzehar, L. Stauffer, and H. Dreyssé, Z. Phys. Chem. (Munich) 181, 305 (1993).
20. R. Löber and D. Hennig, Phys. Rev. B 55, 4761 (1997).
21. W. Dong, G. Kresse, J. Furthmüller, and J. Hafner, Phys. Rev. B 54, 2157 (1996).
22. J. F. Paul and P. Sautet, Phys. Rev. B 53, 8015 (1996).
23. J.-P. Muscat, Phys. Rev. B 33, 8136 (1986).
24. H. Ezzehar, L. Stauffer, H. Dreyssé, and M. Habar, Surf. Sci. 331-333, 144 (1995).
25. G. te Velde and E. J. Baerends, Phys. Rev. B 44, 7888 (1991).
26. G. te Velde and E. J. Baerends, J. Comput. Phys. 99, 84 (1992).
27. R. A. Olsen et. al J. Chem. Phys. 106, 9286 (1997).
28. C. Kittel, Introduction to Solid State Physics, 6th ed. (Wiley, New York, 1986).
29. W. Dong, G. Kresse, and J. Hafner, J. Mol. Catal. A: Chem. 119, 69 (1997).
30. W. Dong and J. Hafner, Phys. Rev. B 56, 15 396 (1997).
31. H. Conrad, M. E. Kordesch, R. Scala, and W. Stenzel, J. Electron Spectrosc. Relat. Phenom. 38, 289 (1986).
32. H. Conrad, M. E. Kordesch, W. Stenzel, and M. Sunjic, J. Vac. Sci. Technol. A 5, 452 (1987).
33. S. W. Rick and J. D. Doll, Surf. Sci. Lett. 302, L305 (1994).
34. P. Sautet and J. F. Paul (private communication).
35. G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 103, 5168 (1995).
36. R. A. Olsen, G. J. Kroes, O. M. Løvvik, and E. J. Baerends, J. Chem. Phys. 107, 10 652 (1997).
37. M. Burgess and O. M. Løvvik (unpublished).