Hostname: page-component-586b7cd67f-rdxmf Total loading time: 0 Render date: 2024-11-29T07:50:44.689Z Has data issue: false hasContentIssue false
  • English
  • Français

Influence of The Local Microstructure on The Macroscopic Properties of Si1–x–yGexCy, Alloys

Published online by Cambridge University Press:  15 February 2011

W. Windl ,
J. D. Kress ,
A. F. Voter ,
J. Menéndez  and
O. F. Sankey
W. Windl
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
J. D. Kress
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
A. F. Voter
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545
J. Menéndez
Affiliation:
Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287–1504
O. F. Sankey
Affiliation:
Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287–1504
Get access

Abstract

We performed a theoretical study of the microscopic arrangement of the C atoms in Si1–x–yGexCy, alloys using the Sankey local-orbital density-functional formalism. Our first-principles calculations show that in the dilute limit, the lattice constant in Si1–yCy, alloys decreases much more (by about 2/3) with concentration than predicted by Vegard's law. We show thatthis result is consistent with Raman and infrared experiments and with previous empiricalcalculations. As the C concentration increases, the interactions between the C atoms become important: Interstitial C becomes more abundant and increases the lattice constant, and the substitutional C atoms array under appropriate growth conditions. The effect of this ordering on the lattice constant is small, but it can be seen in the Raman spectra of layer-by-layer grown samples.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 469: Symposium E – Defects and Diffusion in Silicon Processing , 1997 , 443
Copyright
Copyright © Materials Research Society 1997

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 Eberl, E., Iyer, S. S., Zollner, S., Tsang, J. C., and LeGoues, F. K., Appl. Phys. Lett. 60, 3033 (1992);Google Scholar
Strane, J. W., Stein, H. J., Lee, S. R., Doyle, B. L., Picraux, S. T., and Mayer, J. W., Appl. Phys. Lett. 63, 2786 (1993);Google Scholar
Osten, H. J., Bugiel, E., and Zaumseil, P., Appl. Phys. Lett. 64, 3440 (1994).Google Scholar
2 Demkov, A. A. and Sankey, O. F., Phys. Rev. B 48, 2207 (1993).Google Scholar
3 Xie, J., Zhang, K., and Xie, X., J. Appl. Phys. 77, 3868 (1995);Google Scholar
Yp, L. et ai, Chin. Phys. Lett. 11, 689 (1994);Google Scholar
Gryko, J. and Sankey, O. F., Phys. Rev. B 51, 7295 (1995).Google Scholar
4 Windl, W., Sankey, O. F., and Menéndez, J. (to be published).Google Scholar
5 Lorentzen, J. D., Loechelt, G. H., Meléndez-Lira, M., Menéndez, J., Sego, S., Culbertson, R. J., Windl, W., Sankey, O. F., Bair, A. E., and Alford, T. L. (accepted for publication by Appl. Phys. Lett.);Google Scholar
Lorentzen, J. D., Meléndez-Lira, M. A., and Menéndez, J., presented at the 38th Electronic Materials Conference, Santa Barbara, CA, 1996 (unpublished);Google Scholar
Lorentzen, J. D., Meléndez-Lira, M., Menéndez, J., Kramer, K. M., Thompson, M. O., Cave, N. G., Liu, R., Christiansen, J. W., Theodore, N. D., Jon. J. Candelaria, presented at the 1997 APS March Meeting, Kansas City, MO, 1997 (unpublished).Google Scholar
6 Sankey, O. F. and Niklewski, D. J., Phys. Rev. B 40, 3979 (1989).Google Scholar
7 Demkov, A. A., Ortega, J., Sankey, O. F., and Grumbach, M. P., Phys. Rev. B 52, 1618 (1995).Google Scholar
8 TersofF, J., Phys. Rev. B 39, 5566 (1989).Google Scholar
9 Rücker, H. and Methfessel, M., Phys. Rev. B 52, 11059 (1995).Google Scholar
10 Kelires, P. C., Phys. Rev. Lett. 75, 1114 (1995).Google Scholar
11 Meléndez-Lira, M. A., Menéndez, J., Windl, W., Sankey, O. F., Spencer, G. S., Sego, S., Culbertson, R. B., Bair, A., and Alford, T., Phys. Rev. B 54, 12866 (1996).Google Scholar
12 Baker, J. A., Tucker, T. N., Moyer, N. E., and Buscheri, R. C., J. Appl. Phys. 39, 4365 (1968).Google Scholar
13 Newman, R. C. and Willis, J. B., J. Phys. Chem. Solids 26, 373 (1965).Google Scholar
14 Annual Book of ASTM Standards, Procedure F 1391–93 (ASTM, Philadelphia, 1996).Google Scholar
15 Sego, S., Culbertson, R. J., Bair, A. E., and Alford, T., J. Vac. Sc. Techn. A 14, 441 (1996).Google Scholar
16 Song, L. W., Zhan, X. D., Benson, B. W., and Watkins, G. D., Phys. Rev. B 42, 5765 (1990).Google Scholar
17 Rücker, H., Methfessel, M., Dietrich, B., Préssel, K., and Osten, H. J., Phys. Rev. B 53, 1302 (1996).Google Scholar
18 Meléndez-Lira, M., Lorentzen, J. D., Menéndez, J., Windl, W., Laursen, T., Chandrasekhar, D., Mayer, J. W., and Cave, N. G. (to be published).Google Scholar