Hostname: page-component-745bb68f8f-d8cs5 Total loading time: 0 Render date: 2025-01-15T01:14:59.828Z Has data issue: false hasContentIssue false
  • English
  • Français

Cluster Model Theoretical Study of the Interaction and Penetration of F on a Si Surface

Published online by Cambridge University Press:  21 February 2011

Paul S. Bagus
Paul S. Bagus*
Affiliation:
IBM Research Laboratory, San Jose, CA 95193
Get access

Abstract

The interaction of fluorine with a three-fold open site of the Si(111) surface has been examined using a cluster model. The site considered is taken as representative of one where penetration of the surface may occur. New analyses are used to show that the interaction is ionic with F having essentially a full negative charge for all distances near the surface, both above and below. The bonding is shown to be almost entirely electrostatic between the polarized charges of the positive Si surface and F-. The F-Si binding energy is estimated taking proper account of the electron affinity of F and the ionization potential, work function, of Si. When this is done, it is shown that there is no barrier for the penetration of the Si surface by F; hence, this penetration should not be a rate limiting step in the F-Si etching reaction.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 38: Symposium F – Plasma Synthesis and Etching of Electronic Materials , 1984 , 179
Copyright
Copyright © Materials Research Society 1985

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

1. Winters, H. F., J. Appl. Phys., 49, 5165 (1978).CrossRefGoogle Scholar
2. Winters, H. F. and Coburn, I. W., Appl. Phys. Lett., 34, 70 (1979).CrossRefGoogle Scholar
3. Tu, Y. Y., Chuang, T. J., and Winters, H. F., Phys. Rev. B, 23, 823 (1981).CrossRefGoogle Scholar
4. Haring, R. A., Haring, A., Saris, F. W., and de Vries, A. E., Appl. Phys. Lett., 41, 174 (1982).CrossRefGoogle Scholar
5. Winters, H. F., Coburn, J. W., and Chuang, T. J., J. Vac. Sci. Technol., B1, 469 (1983).CrossRefGoogle Scholar
6. Winters, H. F. and Houle, F., J. Appl. Phys., 54, 1218 (1983).CrossRefGoogle Scholar
7. (a) McFeely, F. R., Moror, J. F., Schinn, N. D., Landgren, G., and Himpsel, F. I., Phys. Rev. B, 30, 764 (1984); (b) J. F. Morar, F. R. McFeely, N. D. Schinn, G. Landgren, and F. J. Himpsel, Appl. Phys. Lett., 45, 174 (1984).CrossRefGoogle Scholar
8. Bauschlicher, C. W., Bagus, P. S., and Schaefer, H. F., IBM J. Res. Dev., 22, 213 (1978).CrossRefGoogle Scholar
9. Bagus, P. S., Schaefer, H. F., and Bauschlicher, C. W., J. Chem. Phys., 78, 1390 (1983).CrossRefGoogle Scholar
10. Seel, M. and Bagus, P. S., Phys. Rev. B., 28, 2023 (1983).CrossRefGoogle Scholar
11. Schaefer, H. F., The Electronic Structure of Atoms and Molecules, (Addison-Wesley, Reading, 1972).Google Scholar
12. Hermann, K. and Bagus, P. S., Phys. Rev. B, 20, 1603 (1979).CrossRefGoogle Scholar
13. Seel, M. and Bagus, P. S., Phys. Rev. B, 23, 5464 (1981); M. Seel and P. S. Bagus, Phys. Rev. B., 29, 1070 (1984).CrossRefGoogle Scholar
14. Bagus, P. S., Hermann, K., and Bauschlicher, C. W., J. Chem. Phys., 80, 4378 (1984).CrossRefGoogle Scholar
15. Amos, A. T. and Hall, G. G., Proc. R. Soc. London Ser. A, 263, 483 (1961).Google Scholar
16. Bagus, P. S., Nelin, C. J. and Bauschlicher, C. W., Phys. Rev. B, 28, 5423 (1983).CrossRefGoogle Scholar
17. Cartling, B., Roos, B. O., and Wahlgren, U. I., Chem. Phys. Lett., 58, 1066 (1973).Google Scholar
18. Mulliken, R. S., J. Chem. Phys., 23, 1833,1841, 2338, 2343, (1955).Google Scholar
19. Bauschlicher, C. W. and Bagus, P. S., J Chem. Phys., (in press).Google Scholar
20. Ågren, H. and Bagus, P. S., J. Amer. Chem. Soc., (in press).Google Scholar
21. Davidson, E. R., J. Chem. Phys., 46, 3320 (1967).CrossRefGoogle Scholar
22. Bagus, P. S., Hermann, K., and Bauschlicher, C. W., J. Chem. Phys., 81, 1966 (1984).CrossRefGoogle Scholar
23. Nelin, C. J., Roos, B. O., Sadlej, A. J., and Siegbahn, P. E. M., I Chem. Phys., 77, 3607 (1982).Google Scholar
24. Teachout, R. K. and Pack, R. T., Atomic Data, 3, 195 (1971).CrossRefGoogle Scholar
25. Bauschlicher, C. W., Lengsfield, B. H., and Liu, B., J. Chem. Phys., 77, 4084 (1984).CrossRefGoogle Scholar
26. Bauschlicher, C. W. and Partridge, H., Chem. Phys. Lett., 94, 366 (1983).CrossRefGoogle Scholar
27. Bagus, P. S., Nelin, C. J., and Bauschlicher, C. W., J. Chem. Phys., 79, 2975 (1983).CrossRefGoogle Scholar
28. Hotop, H. and Lineberger, W. C., J. Phys. Chem. Ref. Data, 4, 530 (1975).CrossRefGoogle Scholar
29. CRC Handbook of Chemistry and Physics, 62nd edition (CRC Press, 1982).Google Scholar