Hostname: page-component-848d4c4894-4rdrl Total loading time: 0 Render date: 2024-07-07T21:41:50.308Z Has data issue: false hasContentIssue false
  • English
  • Français

Density-Functional Theory Study of Hydrogen Induced Platelets in Silicon

Published online by Cambridge University Press:  12 July 2011

Liviu Bîlteanu  and
Jean-Paul Crocombette
Liviu Bîlteanu
Affiliation:
Commissariat à l’Energie Atomique et Alternative, 91191 Gif-sur-Yvette Cedex, France. Laboratoire de Physique des Solides UMR 8502, Université Paris Sud 91405 Orsay Cedex, France.
Jean-Paul Crocombette
Affiliation:
Commissariat à l’Energie Atomique et Alternative, 91191 Gif-sur-Yvette Cedex, France.
Get access

Abstract

In this contribution we present the results of Density-Functional Theory (DFT) calculations of platelets as modelled by infinite planar arrangements of hydrogen atoms and vacancies in (100) planes of silicon. From the observation of the relaxed platelet structures and the comparison of their energy with the one of hydrogen molecules dissolved in silicon we were able to evidence several features. A planar arrangement of hydrogen atoms inserted in the middle of Si-Si bonds proves unstable and Si bonds must be broken for the platelet to be stable. In the (100) plane the most stable configuration is the one with two Si-H bonds (a so-called SiH2 structure). It is possible to generate SiH3 structures which are more stable than hydrogen dissolved in Si bulk but less than SiH2 structures but SiH1 or SiH4 sometimes observed in experiments prove unstable.

Keywords

SiHion-implantation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1370: Symposium YY – Computational Semiconductor Materials Science , 2011 , mrss11-1370-yy05-07
Copyright
Copyright © Materials Research Society 2011

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. Bruel, M., Electronics Letters 31, 1201 (1995).Google Scholar
2. Pailloux, F., David, M. L., and Pizzagalli, L., Micron 41, 135 (2010).Google Scholar
3. Zheng, Y., Lau, S. S., Hochbauer, T., Misra, A., Verda, R., He, X.-M., Nastasi, M., and Mayer, J. W., Journal of Applied Physics 89, 2972 (2001).Google Scholar
4. Wang, J., Xiao, Q., Tu, H., Shao, B., and Liu, A., Microelectronic Engineering 66, 314 (2003).Google Scholar
5. Hebras, X., Nguyen, P., Bourdelle, K. K., Letertre, F., Cherkashin, N., and Claverie, A., Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 262, 24 (2007).Google Scholar
6. Xiao, Q. and Tu, H., Materials Science in Semiconductor Processing 8, 520 (2005).Google Scholar
7. Nordmark, H., Ulyashin, A., Walmsley, J. C., Tøtdal, B., and Holmestad, R., Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 253, 176 (2006).Google Scholar
8. Martsinovich, N., Heggie, M. I., and Ewels, C. P., Journal of Physics: Condensed Matter 15, S2815 (2003).Google Scholar
9. Martsinovich, N., Suarez-Martinez, I., and Heggie, M. I., in Physica Status Solidi C -Conferences and Critical Reviews, Vol 2, No 6, edited by Stutzmann, M.(Wiley-V C H Verlag Gmbh, Weinheim, 2005), Vol. 2, p. 1771.Google Scholar
10. Martsinovich, N., Rosa, A. L., Heggie, M. I., Ewels, C. P., and Briddon, P. R., Physica B 340, 654 (2003).Google Scholar
11. Ordejon, P., Artacho, E., and Soler, J. M., Physical Review B 53, R10441 (1996).Google Scholar
12. Soler, J. M. and, et al. , Journal of Physics: Condensed Matter 14, 2745 (2002).Google Scholar