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Modeling of Silicon Nanodots Nucleation and Growth Deposited by LPCVD on SiO2 : From Molecule/surface Interactions to Reactor Scale Simulations

Published online by Cambridge University Press:  01 February 2011

Ilyes Zahi ,
Hugues Vergnes ,
Brigitte Caussat ,
Alain Esteve ,
Mehdi Djafari Rouhani ,
Pierre Mur ,
Philippe Blaise  and
Emmanuel Scheid
Ilyes Zahi
Affiliation:
Ilyes.Zahi@ensiacet.fr, LAAS - CNRS, MIS, 7, av du Colonel Roche, Toulouse, 31077, France, Metropolitan, +33 (0)5 61 33 62 28, +33 (0)5 61 33 62 33
Hugues Vergnes
Affiliation:
Hugues.Vergnes@ensiacet.fr, Laboratoire de Génie Chimique, ENSIACET, Institut National Polytechnique de Toulouse,UMR-CNRS 5503, 5 rue Paulin Talabot, Toulouse, 31106, France
Brigitte Caussat
Affiliation:
Brigitte.Caussat@ensiacet.fr, Laboratoire de Génie Chimique, ENSIACET, Institut National Polytechnique de Toulouse,UMR-CNRS 5503, 5 rue Paulin Talabot, Toulouse, 31106, France
Alain Esteve
Affiliation:
aesteve@laas.fr, Laboratoire d'Analyse et d'Architecture des Systèmes, UPR-CNRS 8011, 7, av du Colonel Roche, Toulouse, 31077, France
Mehdi Djafari Rouhani
Affiliation:
djafari@laas.fr, Laboratoire d'Analyse et d'Architecture des Systèmes, UPR-CNRS 8011, 7, av du Colonel Roche, Toulouse, 31077, France
Pierre Mur
Affiliation:
MurPi@chartreuse.cea.fr, CEA-LETI-MINATEC, 17 avenue des Martyrs, Grenoble, 38054, France
Philippe Blaise
Affiliation:
philippe.blaise@cea.fr, CEA-LETI-MINATEC, 17 avenue des Martyrs, Grenoble, 38054, France
Emmanuel Scheid
Affiliation:
scheid@laas.fr, Laboratoire d'Analyse et d'Architecture des Systèmes, UPR-CNRS 8011, 7, av du Colonel Roche, Toulouse, 31077, France
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Abstract

We present first results combining models at continuum and atomistic (DFT) levels to improve understanding of key mechanisms involved in silicon nanodots (NDs) synthesis on SiO2 by Low Pressure Chemical Vapor Deposition (LPCVD) from silane SiH4. In particular, by simulating an industrial LPCVD reactor using the CFD code Fluent, we find that the deposition time could be increased and then the reproducibility and uniformity of NDs deposition could be improved when highly diluting silane in a carrier gas. A consequence of this high dilution seems to be that the contribution to deposition of unsaturated species such as silylene SiH2 highly increases. This result is important since our first DFT calculations have shown that silicon chemisorption on silanol Si-OH or siloxane Si-O-Si bonds present on SiO2 substrates could only proceed from silylene (and probably from other unsaturated species). The silane saturated molecule could only contribute to NDs growth, i.e. silicon chemisorption on already deposited silicon bonds. Increasing silylene contribution to deposition in highly diluting silane could then also exalt silicon nucleation on SiO2 substrates and then increase NDs density.

Keywords

nanoscalenucleation & growthsimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 959: Symposium M – Quantum Dots—Growth, Behavior and Applications , 2006 , 0959-M17-12
Copyright
Copyright © Materials Research Society 2007

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