Hostname: page-component-7b7567c8c-7pwfn Total loading time: 0 Render date: 2026-11-15T18:05:19.955Z Has data issue: false hasContentIssue false
  • English
  • Français

Atomistic Modeling and Simulation of Impurity Atmosphere in Silicon and Edge Dislocation Locking Effects

Published online by Cambridge University Press:  17 March 2011

A. Karoui
A. Karoui*
Affiliation:
Materials Science and Engineering Dept. North Carolina State University, Raleigh, NC 27695-7916, nas_karoui@ncsu.edu
Get access

Abstract

A theoretical study of edge dislocation locking by impurities in silicon is presented. Three groups of impurities are considered: (i) light atoms O, N, and C., (ii) large atoms Ga, and Ge, and (iii) small dopant atoms B, P, and Al. Based on impurity size effect model, these three groups produce distinct different dislocation locking effects. Atoms from the first group strongly bind with edge dislocations. The O, N, and C atmospheres are similar, with a slightly stronger occupancy probability for O and N in the vicinity of the dislocation core. For the second group, Ge loosely binds to dislocation and resists at most 1/3 of the separation shear stress that the first group can withstand. Germanium has only a small chance to reach the dislocation core. The third impurity group does not resist shear any separation stress from edge dislocations. Moreover, B and P atoms can not be trapped at all by edge dislocations. At a local atomic fraction of 10−4, edge dislocation-impurity binding energy varies from 0.008 eV/Å for P to 1.7 eV/Å for N and 1. 8 eV/Å for O. In addition, using molecular mechanics on system of 34552 atoms the self-energy of an edge dislocation was calculated and found equal to 156 meV/Å.

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.)

Article purchase

Temporarily unavailable

References

REFERENCES

1. Cochardt, A., Acta Metall. 3, (1955)Google Scholar
2. Barnett, D. M. and Nix, W. D., Acta Metall. 2, (1955).Google Scholar
3. Cottrel, A. H. and Bilby, B. A. Proc. Phys. Soc. A, 62, 49 (1949).Google Scholar
4. Cavalcoli, D., Cavallini, A., Gombia, E.: Phys. Rev. B 56 (1997) 10208.Google Scholar
5. Johnson, R. A., J. Appl. Phys., 50, 1263 (1979).Google Scholar
6. Nandekar, A. S., and Johnson, R.A., Acta Metall. 30, 2055 (1982).Google Scholar
7. Johnson, R. A., Phys. Rev. B, 24 (12), 7383 (1981).Google Scholar
8. Louat, N., Proc. Phys. Soc. 50, 1263 (1979).Google Scholar
9. Beshers, D. N., Acta Metall. 6, 521 (1958).Google Scholar
10. Nandedkar, A. S. and Johnson, R. A. Acta Metall. 30, 2055 (1982).Google Scholar
11. ADESH “Atomistic D fect Simulation Handler”, Casa Engineering, Hopewell Junction, New York, NY. Google Scholar
12. Tersoff, J., Phys. Rev. B, 39(8), 5566 (1989).Google Scholar
13. Discover: Molecular Dynamics simulation, Accelrys Inc., San Diego, CA. Google Scholar
14. Sumino, K., Yonenaga, I., Imai, M., Abe, T., J. Appl. Phys., 54, 5016 (1983).Google Scholar
15. Abe, T. et al. , in Semiconductor Silicon 1981, Eds. Huff, H. et al. , Electrochem. Soc., NJ, p.54 (1981).Google Scholar
16. Itoh, T., and Abe, T., Appl. Phys. Lett., 53, (1), (1988).Google Scholar
17. Karoui, A., Karoui, F. Sahtout, Rozgonyi, G., and Yang, D., Solid State Phenomena, Vols. 82–84, 69 (2002).Google Scholar
18. Karoui, A., Karoui, F. Sahtout, Rozgonyi, G., and Yang, D., to appear in J. Appl. Phys.Google Scholar