Atomistic structure of the Si(100)-SiO2 interface: A synthesis of experimental data

Applied Physics Letters

Volumn 83, Issue 7, 2003, Pages 1417-1419

  Bongiorno, Angelo ^a   Pasquarello, Alfredo ^b  

^a EPFL   (Switzerland)

^b INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; CRYSTALLINE MATERIALS; PARAMAGNETIC RESONANCE; PHOTOEMISSION; SILICA; X RAY ANALYSIS;

COORDINATION DEFECTS;

INTERFACES (MATERIALS);

EID: 0041917621     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1604470     Document Type: Article

References (27)

1. M. Schulz, Nature (London) 399, 729 (1999).
2. M. L. Green, E. P. Gusev, R. Degraeve, and E. L. Garfunkel, J. Appl. Phys. 90, 2057 (2001).
3. A. C. Diebold, D. Venables, Y. Chabal, D. Muller, M. Weldon, and E. Garfunkel, Mater. Sci. Semicond. Process. 2, 103 (1999).
4. 2 Interface-4, edited by H. Z. Massoud, I. J. R. Baumvol, M. Hirose, and E. H. Poindexter (Electrochemical Society, Pennington, NJ, 2000), p. 271.
5. N. Awaji, S. Ohkubo, T. Nakanishi, Y. Sugita, K. Takasaki, and S. Komiya, Jpn. J. Appl. Phys., Part 2 35, L67 (1996); S. D. Kosowsky, P. S. Pershan, K. S. Krish, J. Bevk, M. L. Green, D. Brasen, L. C. Feldman, and P. K. Roy, Appl. Phys. Lett. 70, 3119 (1997).
6. N. Awaji, S. Ohkubo, T. Nakanishi, Y. Sugita, K. Takasaki, and S. Komiya, Jpn. J. Appl. Phys., Part 2 35, L67 (1996); S. D. Kosowsky, P. S. Pershan, K. S. Krish, J. Bevk, M. L. Green, D. Brasen, L. C. Feldman, and P. K. Roy, Appl. Phys. Lett. 70, 3119 (1997).
7. S. C. Witczak, J. S. Suehle, and M. Gaitan, Solid-State Electron. 35, 345 (1992).
8. A. Stesmans and V. V. Afanas'ev, J. Phys.: Condens. Matter 10, L19 (1998).
9. F. J. Himpsel, F. R. McFeely, A. Taleb-Ibrahimi, J. A. Yarmoff, and G. Hollinger, Phys. Rev. B 38, 6084 (1988).
10. F. Rochet, Ch. Poncey, G. Dufour, H. Roulet, C. Guillot, and F. Sirotti, J. Non-Cryst. Solids 216, 148 (1997); J. H. Oh, H. W. Yeom, Y. Hagimoto, K. Ono, M. Oshima, N. Hirashita, M. Nywa, and A. Toriumi, Phys. Rev. B 63, 205310 (2001).
11. F. Rochet, Ch. Poncey, G. Dufour, H. Roulet, C. Guillot, and F. Sirotti, J. Non-Cryst. Solids 216, 148 (1997); J. H. Oh, H. W. Yeom, Y. Hagimoto, K. Ono, M. Oshima, N. Hirashita, M. Nywa, and A. Toriumi, Phys. Rev. B 63, 205310 (2001).
12. A. Pasquarello, M. S. Hybertsen, and R. Car, Phys. Rev. Lett. 74, 1024 (1995); Phys. Rev. B 53, 10942 (1996).
13. A. Pasquarello, M. S. Hybertsen, and R. Car, Phys. Rev. Lett. 74, 1024 (1995); Phys. Rev. B 53, 10942 (1996).
14. A. Pasquarello, M. S. Hybertsen, and R. Car, Nature (London) 396, 58 (1998).
15. R. Buczko, S. J. Pennycook, and S. T. Pantelides, Phys. Rev. Lett. 84, 943 (2000).
16. Y. Tu and J. Tersoff, Phys. Rev. Lett. 84, 4393 (2000).
17. T. Yamasaki, C. Kaneta, T. Uchiyama, T. Uda, and K. Terakura, Phys. Rev. B 63, 115314 (2001).
18. T. Watanabe and I. Ohdomari, Thin Solid Films 343-344, 370 (1999).
19. B. W. H. van Beest, G. J. Kramer, and R. A. van Santen, Phys. Rev. Lett. 64, 1955 (1990).
20. To preserve the directionality of the bonding around the Si atoms of the template, we inserted auxiliary O atoms into the Si-Si bonds in the template. For the same purpose, we also used an additional decaying three-body O-Si-O interaction [P. Vashishta, R. K. Kalia, J. P. Rino, and I. Ebbsjo, Phys. Rev. B 41, 12197 (1990)] for the outer Si atoms of the template.
21. A. Pasquarello, K. Laasonen, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. Lett. 69, 1982 (1992); K. Laasonen, A. Pasquarello, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. B 47, 10142 (1993); Parameters were set as in: A. Bongiorno and A. Pasquarello, ibid. 62, R16326 (2000).
22. A. Pasquarello, K. Laasonen, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. Lett. 69, 1982 (1992); K. Laasonen, A. Pasquarello, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. B 47, 10142 (1993); Parameters were set as in: A. Bongiorno and A. Pasquarello, ibid. 62, R16326 (2000).
23. A. Pasquarello, K. Laasonen, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. Lett. 69, 1982 (1992); K. Laasonen, A. Pasquarello, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. B 47, 10142 (1993); Parameters were set as in: A. Bongiorno and A. Pasquarello, ibid. 62, R16326 (2000).
24. A. Bongiorno and A. Pasquarello, Phys. Rev. B 62, R16326 (2000).
25. A. Pasquarello, M. S. Hybertsen, and R. Car, Appl. Phys. Lett. 68, 625 (1996); Appl. Surf. Sci. 104/105, 317 (1996).
26. A. Pasquarello, M. S. Hybertsen, and R. Car, Appl. Phys. Lett. 68, 625 (1996); Appl. Surf. Sci. 104/105, 317 (1996).
27. F. Mauri, A. Pasquarello, B. G. Pfrommer, Y. G. Yoon, and S. G. Louie, Phys. Rev. B 62, 4786 (2000).