Ab initio study of incorporation of O2 molecules into Si(001) surfaces: Oxidation by Si ejection

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 3, 2004, Pages

  Yu, B D ^a   Kim, Young Jin ^a   Jeon, Junjin ^a   Kim, Hanchul ^b   Yeom, H W ^c   Lyo, I W ^c   Kong, Ki Jeong ^d   Miyamoto, Y ^e   Sugino, O ^f   Ohno, T ^g  

^a University of Seoul   (South Korea)

^b Korea Research Institute of Standards and Science   (South Korea)

^c Yonsei University   (South Korea)

^d Korea Research Institute of Chemical Technology   (South Korea)

^e NEC CORPORATION   (Japan)

^f UNIVERSITY OF TOKYO   (Japan)

^g NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

OXYGEN; SILICON;

AB INITIO CALCULATION; ARTICLE; ATOMIC PARTICLE; CHEMICAL STRUCTURE; DIMERIZATION; ENERGY TRANSFER; MOLECULAR DYNAMICS; MOLECULAR MODEL; OXIDATION; SURFACE PROPERTY;

EID: 42749104479     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.033307     Document Type: Article

References (31)

1. Fundamental Aspects of Silicon Oxidation, edited by Y. J. Chabal (Springer-Verlag, Berlin, 2001).
2. F. J. Grunthaner and P. J. Grunthaner, Mater. Sci. Rep. 1, 65 (1986).
3. J. A. Schaefer, F. Stucki, W. Goöpel, and G. L. Lapeyre, J. Vac. Sci. Technol. B 2, 359 (1984).
4. J. A. Schaefer and W. Göpel, Surf. Sci. 155, 535 (1985).
5. H. Ikeda, K. Hotta, T. Yamada, S. Zaima, and Y. Yasuda, Jpn. J. Appl. Phys., Part 1 34, 2191 (1995).
6. D. G. Cahill and Ph. Avouris, Appl. Phys. Lett. 60, 326 (1992).
7. H. Ikegami, K. Ohmori, H. Ikeda, H. Iwano, Sh. Zaima, and Y. Yasuda, Jpn. J. Appl. Phys., Part 1 35, 1593 (1996).
8. L. Incoccia, A. Balma, S. Cramm, C. Kunz, F. Senf, and I. Storjohann, Surf. Sci. 189/190, 453 (1994).
9. H. Ibach, H. D. Bruchmann, and H. Wagner, Appl. Phys. A: Solids Surf. 29, 113 (1982).
10. J. R. Engstrom, D. J. Bonser, and T. Engel, Surf. Sci. 268, 238 (1992).
11. H. Watanabe, K. Kato, T. Uda, K. Fujita, M. Ichikawa, T. Kawamura, and K. Terakura, Phys. Rev. Lett. 80, 345 (1998).
12. T. Uchiyama and M. Tsukada, Phys. Rev. B 53, 7917 (1996).
13. T. Uchiyama and M. Tsukada, Phys. Rev. B 55, 9356 (1997).
14. T. Uchiyama, T. Uda, and K. Terakura, Surf. Sci. 433-435, 896 (1999).
15. K. Kato, T. Uda, and K. Terakura, Phys. Rev. Lett. 80, 2000 (1998).
16. K. Kato and T. Uda, Phys. Rev. B 62, 15 978 (2000).
17. H. Kageshima and K. Shiraishi, Surf. Sci. 438, 102 (1999).
18. T. Yamasaki, K. Kato, and T. Uda, Phys. Rev. Lett. 91, 146102 (2003).
19. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, ibid. 140, A1133 (1965).
20. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, ibid. 140, A1133 (1965).
21. J. P. Perdew et al., Phys. Rev. B 46, 6671 (1992).
22. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
23. G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994).
24. G. Kresse and J. Hafner, Phys. Rev. B 47, R558 (1993).
25. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11 169 (1996).
26. R. W. G. Wyckoff, Crystal Structures, 2nd ed. (Interscience, New York, 1965).
27. H. Kageshima and K. Shiraishi, Phys. Rev. Lett. 81, 5936 (1998).
28. A. Ourmazd, D. W. Taylor, J. A. Rentschler, and J. Bevk, Phys. Rev. Lett. 59, 213 (1987).
29. A. Pasquarello, M. S. Hybertsen, and R. Car, Appl. Phys. Lett. 68, 625 (1996).
30. K. O. Ng and D. Vanderbilt, Phys. Rev. B 59, 10 132 (1999).
31. Y. Tu and J. Tersoff, Phys. Rev. Lett. 84, 4393 (2000).