Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2×1)

Journal of Chemical Physics

Volumn 126, Issue 11, 2007, Pages

  Hemeryck, A ^a   Mayne, A J ^b   Richard, N ^c   Esteve A ^a   Chabal, Y J ^d   Djafari Rouhani, M ^a   Dujardin, G ^b   Comtet, G ^b  

^a LAAS CNRS   (France)

^b CNRS   (France)

^c CEA DIF   (France)

^d RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST PRINCIPLES CALCULATIONS; SURFACE AMORPHIZATION; SURFACE SILANONE;

AMORPHIZATION; CRYSTAL LATTICES; MOLECULAR OXYGEN; OXIDATION; SCANNING TUNNELING MICROSCOPY; SILICON;

COMPUTATIONAL METHODS;

EID: 34047163920     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2566299     Document Type: Article

References (45)

1. Y. J. Chabal, K. Raghavachari, X. Zhang, and E. Garfunkel, Phys. Rev. B 66, 161315(R) (2002).
2. H. Ibach, H. D. Bruchman, and H. Wagner, Appl. Phys. A: Solids Surf. 29, 113 (1982).
3. R. Ludeke and A. Koma, Phys. Rev. Lett. 34, 1170 (1975).
4. H. Ibach and J. E. Rowe, Phys. Rev. B 10, 710 (1974).
5. P. Morgen, U. Höfer, W. Wurth, and E. Umbach, Phys. Rev. B 39, 3720 (1989).
6. U. Höfer, P. Morgen, and W. Wurth, Phys. Rev. B 40, 1130 (1989).
7. I.-W. Lyo, Ph. Avouris, B. Schubert, and R. Hoffman, J. Phys. Chem. 94, 4400 (1990).
8. T. Uchiyama and M. Tsukada, Phys. Rev. B 55, 9356 (1997).
9. G. F. Cerofolini, G. L. Bruna, and L. Meda, Appl. Surf. Sci. 93, 255 (1996).
10. K. Kato, T. Uda, and K. Terakura, Phys. Rev. Lett. 80, 2000 (1998).
11. A. A. Demkov and O. F. Sankey, Phys. Rev. Lett. 83, 2038 (1999).
12. Y. Widjaja and C. B. Musgrave, J. Chem. Phys. 116, 5774 (2002).
13. T. Hoshino, M. Tsuda, S. Oikawa, and I. Ohdomari, Phys. Rev. B 50, 14999 (1994).
14. A. Pasquarello, M. S. Hybeitsen, and R. Car, Appl. Phys. Lett. 68, 625 (1996).
15. X. L. Fan, Y. F. Zhang, W. M. Lau, and Z. F. Liu, Phys. Rev. Lett. 94, 016101 (2005).
16. K. Kato and T. Uda, Phys. Rev. B 62, 15978 (2000).
17. B. A. Ferguson, C. T. Reeves, and C. B. Mullins, J. Chem. Phys. 110, 11574 (1999).
18. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
19. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
20. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
21. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
22. G. Mills, H. Jónsson, and G. K. Schenter, Surf. Sci. 324, 305 (1995).
23. H. Jónsson, G. Mills, and K. W. Jacobsen, in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccotti, and D. F. Coker (World Scientific, Singapore, 1998), p. 385.
24. A. Ramstad, G. Brocks, and P. J. Kelly, Phys. Rev. B 51, 14504 (1995).
25. A. Incze, R. Del Sole, and G. Onida, Phys. Rev. B 71, 035350 (2005).
26. L. Andersohn and U. Köhler, Surf. Sci. 284, 77 (1993).
27. M. Chander, Y. Z. Li, J. C. Patrin, and J. H. Weaver, Phys. Rev. B 48, 2493 (1993).
28. C. U. S. Larsson, A. S. Flodström, R. Nyholm, L. Incoccia, and F. Senf, J. Vac. Sci. Technol. A 5, 3321 (1987).
29. H. Bu and J. W. Rabalais, Surf. Sci. 301, 285 (1994).
30. J. Wang, T. A. Arias, and J. D. Joannopoulos, Phys. Rev. B 47, 10497 (1993).
31. J. H. G. Owen, D. R. Bowler, C. M. Goringe, K. Miki, and G. A. D. Briggs, Surf. Sci. 341, L1042 (1995).
32. R. J. Hamers and U. K. Köhler, J. Vac. Sci. Technol. A 7, 2854 (1989).
33. Y. W. Mo, J. Kleiner, M. B. Webb, and M. G. Lagally, Phys. Rev. Lett. 66, 1998 (1991).
34. K. Hata, S. Ozawa, and H. Shigekawa, Surf. Sci. 441, 140 (1999).
35. Ph. Avouris and I.-W. Lyo, Appl. Surf. Sci. 60/61, 426 (1992).
36. M. Nishizawa, T. Yasuda, S. Yamasaki, K. Miki, M. Shinohara, N. Kamakura, Y. Kimura, and M. Niwano, Phys. Rev. B 65, 161302 (2002).
37. S. Okano and A. Oshiyama, Surf. Sci. 554, 272 (2004).
38. K. Sakamoto, S. T. Jemander, G. V. Hansson, and R. I. G. Uhrberg, Phys. Rev. B 65, 155305 (2002).
39. R. Martel, Ph. Avouris, and I.-W. Lyo, Science 272, 385 (1996).
40. A. J. Mayne, F. Rose, G. Comtet, L. Hellner, and G. Dujardin, Surf. Sci. 528, 132 (2003).
41. A. J. Fisher, P. E. Blöchl, and G. A. D. Briggs, Surf. Sci. 374, 298 (1997).
42. A. M. Stoneham, Solid State Commun. 24, 425 (1977).
43. G. Dujardin, A. J. Mayne, and F. Rose, Phys. Rev. Lett. 89, 036802 (2002).
44. R. M. Feenstra, G. Meyer, and K. H. Rieder, Phys. Rev. B 69, 081309 (2004).
45. R. M. Feenstra, S. Gaan, G. Meyer, and K. H. Rieder, Phys. Rev. B 71, 125316 (2005).