Quantum treatment of H adsorbed on a Pt(111) surface

Physical Review B - Condensed Matter and Materials Physics

Volumn 65, Issue 3, 2002, Pages 1-4

  Källén, Gustav ^a   Wahnström, Göran ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84876386564     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.65.033406     Document Type: Article

References (28)

1. K. Christmann, Surf. Sci. Rep. 9, 1 (1988).
2. P. R. Norton, in The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis, Vol. 4, edited by D. A. King and D. P. Woodruff (Elsevier, Amsterdam, 1982).
3. R. A. Olsen, G. J. Kroes, and E. J. Baerends, J. Chem. Phys. 111, 11 155 (1999).
4. G. Papoian, J. K. Norskov, and R. Hoffmann, J. Am. Chem. Soc. 122, 4129 (2000).
5. G. W. Watson, R. P. K. Wells, D. J. Willock, and G. J. Hutchings, Chem. Commun. (Cambridge) 8, 705 (2000).
6. A. M. Baró, H. Ibach, and H. D. Bruchmann, Surf. Sci. 88, 384 (1979).
7. L. J. Richter and W. Ho, Phys. Rev. B 36, 9797 (1987).
8. J. E. Reutt, Y. J. Chabal, and S. B. Christman, J. Electron Spectrosc. Relat. Phenom. 44, 325 (1987).
9. A. P. Graham, A. Menzel, and P. Toennies, J. Chem. Phys. 111, 1676 (1999).
10. E. G. Seebauer and L. D. Schmidt, Chem. Phys. Lett. 123, 129 (1986).
11. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
12. W. Kohn and L. Sham, Phys. Rev. 140, A1133 (1965).
13. J. P. Perdew et al., Phys. Rev. B 46, 6671 (1992).
14. B. Hammer et al., CAMP, DTU, Denmark.
15. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
16. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
17. M. J. Gillan, J. Phys.: Condens. Matter 1, 689 (1989).
18. W. H. Press, S. A. Teukolsky, W. T. Wetterling, and B. P. Flannery, Numerical Recipes, 2nd ed. (Cambridge University Press, Cambridge, 1992).
19. The difference between our results and the results by Papoian et al. (Ref. 4) for three layers Pt is due to different number of k-points.
20. M. J. Puska and R. M. Nieminen, Surf. Sci. 157, 413 (1985).
21. S. C. Badescu et al., unpublished.
22. The zero-point energy for the hydrogen molecule (per hydrogen atom) is determined by (formula presented) where (formula presented) (Ref. 1).
23. B. J. J. Koeleman et al., Phys. Rev. Lett. 56, 1152 (1986).
24. K. Umezawa et al., Surf. Sci. 387, 320 (1997).
25. K. M. Lui et al., J. Appl. Phys. 86, 5256 (1999).
26. T. S. Lin and R. Gomer, Surf. Sci. 255, 41 (1991).
27. T. R. Mattsson et al., Phys. Rev. B 56, 2258 (1997).
28. K. W. Kehr, in Topics in Applied Physics, Vol. 28, edited by G. Alefeld and J. Völkl (Springer-Verlag, New York, 1978).