Density-functional study of oxygen adsorption on Mo(112)

Journal of Chemical Physics

Volumn 122, Issue 4, 2005, Pages

  Kiejna, Adam ^a   Nieminen, R M ^b  

^a UNIVERSITY OF WROC AW   (Poland)

^b AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC OXYGEN ADSORPTION; SECOND LAYER ATOM; STRUCTURAL MODELS; TOTAL ENERGY CALCULATIONS;

MOLECULAR STRUCTURE; MOLYBDENUM COMPOUNDS; MONOLAYERS; OXYGEN; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE;

ADSORPTION;

EID: 23044469477     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1836755     Document Type: Article

References (31)

1. T. Schroeder, J. B. Giorgi, A. Hammoudeh, N. Magg, M. Bäumer, and H.-J. Freund, Phys. Rev. B 65, 115411 (2002).
2. T. Schroeder, J. B. Giorgi, M. Bäumer, and H.-J. Freund, Phys. Rev. B 66, 165422 (2002).
3. M. S. Chen, A. K. Santra, and D. W. Goodman, Phys. Rev. B 69, 155404 (2004).
4. A. Kiejna and R. M. Nieminen, Phys. Rev. B 66, 085407 (2002).
5. A. Kiejna and R. M. Nieminen, Phys. Rev. B 69, 235424 (2004).
6. D. Kolthoff and H. Pfnür, Surf. Sci. 459, 265 (2000).
7. G. Godzik, T. Block, and H. Pfnür, Phys. Rev. B 69, 235414 (2004).
8. G. Godzik, H. Pfnür, and I. Lyuksyutov, Europhys. Lett. 56, 67 (2001).
9. K. Fukui, T. Aruga, and Y. Iwasawa, Surf. Sci. 281, 241 (1993).
10. T. Aruga, K. Tateno, K. Fukui, and Y. Iwasawa, Surf. Sci. 324, 17 (1995).
11. T. Sasaki, Y. Goto, R. Tero, K. Fukui, and Y. Iwasawa, Surf. Sci. 502-503, 136 (2002).
12. G. Ertl, Surf. Sci. 6, 208 (1967).
13. S. Y. Liem, G. Kresse, and J. H. R. Clarke, Surf. Sci. 415, 194 (1998).
14. T. McAvoy, J. Zhang, C. Waldfried, D. N. McIlroy, P. A. Dowben, O. Zeybek, T. Bertrams, and S. D. Barrett, Eur. Phys. J. B 14, 747 (2000).
15. T. Schroeder, J. Zegenhagen, N. Magg, B. Immaraporn, and H.-J. Freund, Surf. Sci. 552, 85 (2004).
16. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
17. W. Kohn and L. J. Sham, Phys. Rev. 140, 1133A (1965).
18. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992);
19. 48, 4978 (E) (1993).
20. P. Blöchl, Phys. Rev. B 50, 17953 (1994).
21. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
22. G. Kresse and J. Hafner, Phys. Rev. B 47, R558 (1993);
23. 49, 14251 (1994);
24. G. Kresse and J. Furthmüller, 54, 11169 (1996);
25. Comput. Mater. Sci. 6, 15 (1996).
26. J. Neugebauer and M. Scheffler, Phys. Rev. B 46, 16067 (1992).
27. L. Bengtsson, Phys. Rev. B 59, 12301 (1999).
28. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
29. M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989).
30. H. Bu, O. Grizzi, M. Shi, and J. W. Rabalais, Phys. Rev. B 40, 10147 (1989).
31. V. L. Moruzzi, J. F. Janak, and A. R. Williams, Calculated Electronic Properties of Metals (Pergamon, New York, 1978).