Effect of S arrangement on Fe(110) properties at 1/3 monolayer coverage: A DFT study

Journal of Physical Chemistry B

Volumn 110, Issue 2, 2006, Pages 956-962

  Spencer, Michelle J S ^a   Snook, Ian K ^a   Yarovsky, Irene ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DISSOCIATION; MAGNETIC MOMENTS; MONOLAYERS; PROBABILITY DENSITY FUNCTION; SULFUR;

COVALENT BONDS; MONOLAYER COVERAGE; OVERLAYER ARRANGEMENT; WORK FUNCTION;

IRON;

EID: 31544467274     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054769f     Document Type: Article

References (30)

1. Spencer, M. J. S.; Snook, I. K.; Yarovsky, I. J. Phys. Chem. B 2005, 109, 9694.
2. Kelemen, S. R.; Kaldor, A. J. Chem. Phys. 1981, 75, 1530.
3. Oudar, J. Bull. Soc. fr. Mineral. Cristallogr. 1971, 94, 225.
4. Berbil-Bautista, L.; Krause, S.; Hanke, T.; Bode, M.; Wiesendanger, R. Surf. Sci. 2005, in review.
5. Weissenrieder, J.; Gothelid, M.; Le Lay, G.; Karlsson, U. O. Surf. Sci. 2002, 515, 135.
6. Taga, Y.; Isogai, A.; Nakajima, K. Trans. Jpn Inst. Met. 1976, 17, 201.
7. Spencer, M. J. S.; Hung, A.; Snook, I.; Yarovsky, I. Surf. Sci. 2003, 540, 420.
8. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169.
9. Kresse, G.; Furthmuller, J. Comput. Mater. Sci. 1996, 6, 15.
10. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 48, 13115.
11. Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, 1133.
12. Perdew, J. P.; Yue, W. Phys. Rev. B 1992, 45, 13244.
13. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
14. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
15. Hung, A.; Yarovsky, I.; Muscat, J.; Russo, S.; Snook, I.; Watts, R. O. Surf. Sci. 2002, 501, 261.
16. Spencer, M. J. S.; Hung, A.; Snook, I. K.; Yarovsky, I. Surf. Sci. 2002, 515, L464.
17. Spencer, M. J. S.; Hung, A.; Snook, I.; Yarovsky, I. Surf. Rev. Lett. 2003, 10, 169.
18. Spencer, M. J. S.; Hung, A.; Snook, I. K.; Yarovsky, I. Surf. Sci. 2002, 513, 389.
19. Hung, A.; Muscat, J.; Yarovsky, I.; Russo, S. P. Surf. Sci. 2002, 520, 111.
20. Hung, A.; Muscat, J.; Yarovsky, I.; Russo, S. P. Surf. Sci. 2002, 513, 511.
21. Muscat, J.; Hung, A.; Russo, S.; Yarovsky, I. Phys. Rev. B 2002, 65, 054107/1.
22. Spencer, M. J. S.; Snook, I. K.; Yarovsky, I. J. Phys. Chem. B 2004, 108, 10965.
23. Spencer, M. J. S.; Snook, I. K.; Yarovsky, I. J. Phys. Chem. B 2005, 109, 10204.
24. Methfessel, M.; Paxton, A. T. Phys. Rev. B 1989, 40, 3616.
25. Blochl, P. E.; Jepsen, O.; Andersen, O. K. Phys. Rev. B 1994, 49, 16223.
26. Makov, G.; Payne, M. C. Phys. Rev. B 1995, 51, 4014.
27. Neugebauer, J.; Scheffler, M. Phys. Rev. B 1992, 46, 16067.
28. Shih, H. D.; Jona, F.; Jepsen, D. W.; Marcus, P. M. Phys. Rev. Lett. 1981, 46, 731.
29. Yarovsky, I.; Spencer, M. J. S.; Snook, I. Iron surfaces and interfaces: structure and properties from Density Functional Theory. In Progress in Surface Science; Columbus, F., Ed.; Nova Science Publishers: Hauppauge, NY, 2005; in press.
30. Broden, G.; Gafner, G.; Bonzel, H. P. Appl. Phys. 1977, 13, 333.