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Recrystallization of Silicon by Classical Molecular Dynamics

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Molecular Dynamics Simulations of Disordered Materials

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 215))

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Abstract

Recrystallization of amorphous silicon is studied by classical molecular dynamics. First, a simulation scheme is developed to systematically determine the amorphous on crystal (a/c) silicon motion and compare it to established measurements by Olson and Roth [1]. As a result, it is shown that MD simulations using Tersoff [2] potential are adapted to simulate solid phase epitaxy, although a temperature shift to high values should be accounted for, while simulations using Stillinger-Weber [3] allows to study liquid phase epitaxy. In a second part, the simulation approach is applied to the case of a nanostructure [4] where classical recipes fail to achieve complete recrystallization. MD simulations are shown to be in agreement with experimental observations. The analysis of the structural evolution with time provide a support to understand the origin of the defects.

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Acknowledgments

The results presented in this chapter were obtained during a 5 years collaboration with Dr. Christophe Krzeminski. I acknowledge Pr. Fabrizio Cleri for the numerous discussions on the molecular dynamics technique and on the physics of recrystallization.

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Authors and Affiliations

  1. Institute of Electronics, Microelectronics and Nanotechnology, Avenue Poincaré, CS 60069, 59652, Villeneuve d’Ascq Cedex, France

    Evelyne Lampin

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  1. Evelyne Lampin
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Correspondence to Evelyne Lampin .

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Editors and Affiliations

  1. IPCMS, Strasbourg University, Strasbourg, France

    Carlo Massobrio

  2. Dept. of Materials Science and Engineeri, University of North Texas, Denton, Texas, USA

    Jincheng Du

  3. Dept. of Materials Science, University of Milan Bicocca, Milan, Italy

    Marco Bernasconi

  4. Dept. of Physics, University of Bath, Bath, United Kingdom

    Philip S. Salmon

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Lampin, E. (2015). Recrystallization of Silicon by Classical Molecular Dynamics. In: Massobrio, C., Du, J., Bernasconi, M., Salmon, P. (eds) Molecular Dynamics Simulations of Disordered Materials. Springer Series in Materials Science, vol 215. Springer, Cham. https://doi.org/10.1007/978-3-319-15675-0_6

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