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Defect Induced Amortization in Silicon: A Tight Binding Molecular Dynamics Simulation

Published online by Cambridge University Press:  22 February 2011

D. Maric  and
L. Colombo
D. Maric
Affiliation:
Swiss Scientific Computing Center, CH-6928 Manno (Switzerland)
L. Colombo
Affiliation:
Dipartimento di Fisica, Universita' di Milano, via Celoria 16, 1-20133 Milano (Italy)
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Abstract

We present an investigation on the amorphization process of crystalline silicon induced by ion beam bombardment by simulating the insertion of self-interstitials at different temperatures. The simulation is carried out by tight-binding molecular dynamics which allows for a detailed characterization of the chemical bonding and electronic properties of the irradiated samples. The irradiation process consists of two steps: (i) insertion of defects at a constant rate; (ii) annealing of the sample and observation of its structural properties. Thanks to the large size of the simulation cell (up to 276 atoms) we can characterize the amorphous network both on the short-range and medium-range length scale. Electronic properties are investigated as well and their evolution is monitored during the insertion process. Finally, we present a thorough comparison of the structural properties of the irradiated sample with amorphous silicon as obtained by rapid quench from the melt.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 316: Symposium A – Materials Synthesis and Processing Using Ion Beams , 1993 , 223
Copyright
Copyright © Materials Research Society 1994

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References

REFERENCES

1 Phase tansformations during irradiation, edited by Nalfi, F.V. (Applied Sciences, Englewood, NJ, 1983)Google Scholar
2 Eckstein, W., Computer simulation of ion-solid interactions (Springer Series in Materials Science vol. 10, Springer-Verlag, Heidelberg, 1991)Google Scholar
3 Servalli, G. and Colombo, L., Europhys. Lett. 22, 107 (1993)Google Scholar
4 Stich, I., Car, R. and Parrinello, M., Phys. Rev. B44, 11092 (1991)Google Scholar
5 Song, E.G., Kim, E., Lee, Y.H., Hwang, Y.G., Phys. Rev. B48, 1486 (1993)Google Scholar
6 Wang, C.Z., Chang, C.T. and Ho, K.M., Phys. Rev. Lett. 66, 189 (1991)Google Scholar
7 Goodwin, L., Skinner, L. and Pettifor, A.J., Europhys. Lett. 9, 701 (1989)Google Scholar
8 Chadi, D., Phys. Rev. Lett. 41, 1062 (1978); Phys. Rev. B29, 785 (1984)Google Scholar
9 Waseda, Y. and Suzuki, K., Z. Phys. B20, 339 (1975)Google Scholar
10 Tetrahedrally bonded amorphous semiconductors, edited by Adler, D. and Fritzsche, (Plenum,New York, 1985)Google Scholar