Hostname: page-component-586b7cd67f-t7fkt Total loading time: 0 Render date: 2024-11-25T17:40:42.908Z Has data issue: false hasContentIssue false
  • English
  • Français

Atomic-scale investigation of the dielectric screening at the interface between silicon and its oxide

Published online by Cambridge University Press:  01 February 2011

Feliciano Giustino  and
Alfredo Pasquarello
Feliciano Giustino
Affiliation:
Institut de Théorie des Phénomènes Physiques (ITP), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland, and Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), CH-1015 Lausanne, Switzerland
Alfredo Pasquarello
Affiliation:
Institut de Théorie des Phénomènes Physiques (ITP), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland, and Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), CH-1015 Lausanne, Switzerland
Get access

Abstract

We investigate the dielectric screening across the Si-SiO2 interface using a first-principle approach. By determining the profile of the microscopic polarization and the effective polarizabilities of SiOn (n = 0,‥4) structural units, we show that the variation of the local screening across the interface relates to the chemical grading. The oxide region near the Si substrate shows the same dielectric permittivity as bulk SiO2 as long as the oxide is locally stoichiometric. The suboxide region carries an enhanced permittivity, with a value intermediate between those corresponding to bulk Si and SiO2. The implications of these findings for the scalability of the equivalent oxide thickness in high-κ gate stacks are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 786: Symposium E – Fundamentals of Novel Oxide/Semiconductor Interfaces , 2003 , E5.1
Copyright
Copyright © Materials Research Society 2004

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Muller, D.A., Sorsch, T., Moccio, S., Baumann, F.H., Evans-Lutterodt, K., Timp, G., Nature (London) 399, 758 (1999);Google Scholar
Neaton, J.B., Muller, D.A., Ashcroft, N.W., Phys. Rev. Lett. 85, 1298 (2000).Google Scholar
2. Wilk, G.D., Wallace, R.M., Anthony, J.M., Appl. Phys. Rev. 89, 5243 (2001).Google Scholar
3. Perkins, C.M., Triplett, B.B., Mclntyre, P.C., Saraswat, K.C., Haukka, S., Tuominen, M., Appl. Phys. Lett. 78, 2357 (2001), and references therein.Google Scholar
4. Hirose, K., Kitahara, H., Hattori, T., Phys. Rev. B 67, 195313 (2003).Google Scholar
5. Pasquarello, A., Hybertsen, M. S., Car, R., Phys. Rev. B 53 10942 (1996); Appl. Surf. Sci. 104, 317 (1996).Google Scholar
6. Rochet, F., Poncey, Ch., Dufour, G., Roulet, H., Guillot, C., Sirotti, F., J. Non-Crystall. Sol. 216, 148 (1997);Google Scholar
Oh, J.H., Yeom, H. W., Hagimoto, Y., Ono, K., Oshima, M., Hirashita, N., Nywa, M., Toriumi, A., Phys. Rev. B 63, 205310 (2001).Google Scholar
7. Perdew, J.P., Chevary, J.A., Vosko, S.H., Jackson, K.A., Pederson, M.R., Singh, D.J., Fiolhais, C., Phys. Rev. B 46, 6671 (1992).Google Scholar
8. Dal Corso, A., Pasquarello, A., Baldereschi, A., Car, R., Phys. Rev. B 53, 1180 (1996).Google Scholar
9. Vanderbilt, D., Phys. Rev. B 41, 7892 (1990).Google Scholar
10. Car, R., Parrinello, M., Phys. Rev. Lett. 55, 2471 (1985).Google Scholar
11. Pasquarello, A., Laasonen, K., Car, R., Lee, C., Vanderbilt, D., Phys. Rev. Lett. 69, 1982 (1992);Google Scholar
Laasonen, K., Pasquarello, A., Car, R., Lee, C., Vanderbilt, D., Phys. Rev. B 47, 10142 (1993).Google Scholar
12. Yamasaki, T., Kaneta, C., Uchiyama, T., Uda, T., Terakura, K., Phys. Rev. B 63, 115314 (2001).Google Scholar
13. Colombo, L., Resta, R., Baroni, S., Phys. Rev. B 44, 5572 (1991).Google Scholar
14. Umari, P., Pasquarello, A., Phys. Rev. Lett. 89, 157602 (2002).Google Scholar
15. Tang, S., Wallace, R. M., Seabaugh, A., King-Smith, D., Appl. Surf. Sci. 135, 137 (1998).Google Scholar
16. Penn, D. R., Phys. Rev. B 128, 2093 (1962).Google Scholar
17. Muller, D. A., Wilk, G. D., Appl. Phys. Lett. 79 (2001) 4195–4197.Google Scholar
18. Giustino, F., Umari, P., Pasquarello, A., to appear in Phys. Rev. Lett.Google Scholar
19. Marzari, N., Vanderbilt, D., Phys. Rev. B 56, 12847 (1997);Google Scholar
Sgiarovello, C., Peressi, M., Resta, R., Phys. Rev. B 64, 115202 (2001);Google Scholar
Gygi, F., Fattebert, J.-L., Schwegler, E., Comput. Phys. Comm. 155 1 (2003).Google Scholar