| Issue |
Europhys. Lett.
Volume 76, Number 5, December 2006
|
|
|---|---|---|
| Page(s) | 842 - 848 | |
| Section | Condensed matter: structural, mechanical and thermal properties | |
| DOI | https://doi.org/10.1209/epl/i2006-10334-y | |
| Published online | 25 October 2006 | |
Diffusion of boron in silicon: Compatibility of empirical molecular dynamics with continuum simulations
1
IEMN/ISEN, UMR CNRS 8520 - Avenue Poincaré 59652 Villeneuve d'Ascq Cedex, France
2
Ente Nuove Tecnologie, Energia e Ambiente (ENEA) Centro Ricerche Casaccia - 00100 Roma A.D., Italy
Received:
2
June
2006
Accepted:
29
September
2006
The compatibility of atomistic simulations with continuum methods is tested by applying empirical molecular dynamics to the diffusion of a boron dopant atom in silicon. Extended timescale simulations of the diffusion path are performed. The analysis of the position of boron during the migration events reveals a preference for a kick-out mechanism. The deduced migration length is in excellent agreement with the classical value, a promising conclusion encouraging the transition to all-atomistic process simulations. The diffusion coefficient of boron is analyzed in light of an accelerated diffusion in the presence of a silicon self-interstitial oversaturation.
PACS: 61.72.Tt – Doping and impurity implantation in germanium and silicon / 67.80.Mg – Defects, impurities, and diffusion / 02.70.Ns – Molecular dynamics and particle methods
© EDP Sciences, 2006
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