Hostname: page-component-848d4c4894-nmvwc Total loading time: 0 Render date: 2024-06-21T12:17:01.112Z Has data issue: false hasContentIssue false
  • English
  • Français

Atomic Structure, Band Offsets and Hydrogen in High K oxide:Silicon interfaces

Published online by Cambridge University Press:  11 February 2011

J Robertson  and
P W Peacock
J Robertson
Affiliation:
Engineering Department, Cambridge University, Cambridge CB2 1PZ, UK
P W Peacock
Affiliation:
Engineering Department, Cambridge University, Cambridge CB2 1PZ, UK
Get access

Abstract

The bonding, electronic structure and valence band offsets are calculated for various atomic models of interfaces between Si and high dielectric constant insulators ZrO2 and SrTiO3. A non-polar face of the oxide does not necessarily give a semiconducting interface, because of the need to fill Si dangling bond states on the Si side. This can be achieved by stoichiometry changes. Band offsets of semiconducting interfaces are generally the same as those found from bulk charge neutrality levels, indicating no dipole layers. Dipole layers are present at some configurations, where the offset is then changed by up to 1 eV. The states of hydrogen in the oxides are also considered.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 747: Symposia T/V – Crystalline Oxides on Semiconductors – Interfacial Issues for Oxide-Based Electronics , 2002 , T5.5/N7.5
Copyright
Copyright © Materials Research Society 2003

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. Wilk, G, Wallace, R M, Anthony, J M, J App Phys 89 5243 (2001)Google Scholar
2. Robertson, J, J Vac Sci Technol B 18 1785 (2000);Google Scholar
Peacock, P W, Robertson, J, J App Phys 92 4712 (2002)Google Scholar
3. Yeo, Y C, King, T J, Hu, C, App Phys Lett 81 2091 (2002)Google Scholar
4. Fischetti, M V, Neumayer, D A, Cartier, E A, J App Phys 90 4587 (2001)Google Scholar
5. McKee, R A, Walker, F J, Chisholm, M F, Phys Rev Lett 81 3014 (1998)Google Scholar
6. McKee, R A, Walker, F J, Chisholm, M F, Science 293 468 (2001)Google Scholar
7. Yang, G Y, Finder, J M, Wang, J, Yu, Z, Ramdani, J, Droopad, R, Eisenbeiser, K W, Ramjesh, R, J Mat Res 17 204 (2002)Google Scholar
8. Wang, S J, Ong, C K, Xu, S Y, Chen, P, Tjiu, W C, Chai, J W, Huan, A C H, Yoo, W J, Lim, J S, Feng, W, Choi, W K, App Phys Lett 78 1604 (2001);Google Scholar
Wang, S, Ong, C K, App Phys Lett 80 2541 (2002)Google Scholar
9. Guha, S, Bojarczuk, N A, Narayanam, V, App Phys Lett 80 766 (2002)Google Scholar
10. Apostolopoulos, G, et al, App Phys Lett 81 3549 (2002)Google Scholar
11. Harrison, W A, Phys Rev B 18 4402 (1978)Google Scholar
12. Herman, F, Kawowski, R V, J Vac Sci Technol 19 395 (1981)Google Scholar
13. Tu, Y, Tersoff, J, Phys Rev Lett 84 4393 (2000)Google Scholar
14. Ourmazd, A, Taylor, D W, Rentschler, J A, Bevk, J, Phys Rev Lett 59 213 (1987)Google Scholar
15. Pasquarello, A, Hybertsen, M S, Car, R, Phys Rev Lett 74 1024 (1995)Google Scholar
16. Cherns, D, Anstis, G R, Hutchison, J L, Spence, J C H, Philos Mag A 46 849 (1982); 49 165 (1984)Google Scholar
17. Satpathy, S, Martin, R M, Phys Rev B 39 8494 (1989);Google Scholar
Fujitani, H, Asano, S, Surf Sci 268 265 (1992)Google Scholar
18. Tromp, R M, Reuter, R C, Phys Rev Lett 61 1756 (1988)Google Scholar
19. Payne, M C, Teter, M P, Allan, D C, Arias, T A, Joannopoulos, J D, Rev Mod Phys 64 1045 (1992)Google Scholar
20. Zhang, X, Demkov, A, Li, H, Hu, X, Kulik, J, unpublished workGoogle Scholar
21. Keiser, J W, Rowe, J E, Kolodziej, J J, Niimi, H, Madey, T E, Lucovsky, G, J Vac Sci Technol B 17 1831 (1999)Google Scholar
22. Foster, A S, Sulimov, V B, Gejo, F Lopez, Shluger, A L, Nieminen, R N, Phys Rev B 64 224108 (2001)Google Scholar
23. Foster, A S, Gejo, F Lopez, Shluger, A L, Nieminen, R N, Phys Rev B 65 174117 (2002)Google Scholar
24. Stahlbush, R E, Edwards, A H, Griscom, D L, Mrstik, B J, J App Phys 73 658 (1993)Google Scholar
25. van de Walle, C G, Denteener, P J H, Yam, Y Bar, Pantelides, S T, Phys Rev B 39 10791 (1989)Google Scholar
26. Pavesi, L, Giannozzi, P, Phys Rev B 46 4621 (1992)Google Scholar
27. Neugebauer, J, van de Walle, C G, Phys Rev Lett 75 4452 (1995)Google Scholar
28. Yokozawa, A, Miyamoto, Y, Phys Rev B 55 13783 (1997)Google Scholar
29. van de Walle, C G, Phys Rev Lett 85 1012 (2000)Google Scholar
30. Kilic, C, Zunger, A, App Phys Let 81 73 (2002)Google Scholar