Molecular-dynamics analysis of the nucleation and crystallization process of Si

Byoung Min Lee; Hong Koo Baik; Baek Seok Seong; Shinji Munetoh; Teruaki Motooka

doi:10.1016/j.physb.2006.11.031

Molecular-dynamics analysis of the nucleation and crystallization process of Si

Byoung Min Lee, Hong Koo Baik, Baek Seok Seong, Shinji Munetoh, Teruaki Motooka

Department of Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

Molecular-dynamics (MD) simulations of excimer-laser annealed Si using the Tersoff potential have been performed and the processes of the nucleation and crystallization of Si are monitored by the order parameter for each atom. The order parameter which identifies each atom belonging to the crystalline phase in amorphous and liquid-like environment is presented by a four-body correlation function. The simulation results show that the atomistic processes of the nucleation and crystallization of Si on crystalline Si (c-Si) substrates can be divided into several stages. Twins with low formation energy disturb the further crystallization of nucleus along the [1 1 1] direction.

Original language	English
Pages (from-to)	266-271
Number of pages	6
Journal	Physica B: Condensed Matter
Volume	392
Issue number	1-2
DOIs	https://doi.org/10.1016/j.physb.2006.11.031
Publication status	Published - 2007 Apr 15

Bibliographical note

Funding Information:
This work was partly supported by the Japanese Ministry of Economy, Trade and Industry, New Energy and Industrial Technology Development Organization and Advanced LCD Technologies Development Center Co. Ltd.

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Electrical and Electronic Engineering

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10.1016/j.physb.2006.11.031

Cite this

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title = "Molecular-dynamics analysis of the nucleation and crystallization process of Si",

abstract = "Molecular-dynamics (MD) simulations of excimer-laser annealed Si using the Tersoff potential have been performed and the processes of the nucleation and crystallization of Si are monitored by the order parameter for each atom. The order parameter which identifies each atom belonging to the crystalline phase in amorphous and liquid-like environment is presented by a four-body correlation function. The simulation results show that the atomistic processes of the nucleation and crystallization of Si on crystalline Si (c-Si) substrates can be divided into several stages. Twins with low formation energy disturb the further crystallization of nucleus along the [1 1 1] direction.",

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T1 - Molecular-dynamics analysis of the nucleation and crystallization process of Si

AU - Lee, Byoung Min

AU - Baik, Hong Koo

AU - Seong, Baek Seok

AU - Munetoh, Shinji

AU - Motooka, Teruaki

N1 - Funding Information: This work was partly supported by the Japanese Ministry of Economy, Trade and Industry, New Energy and Industrial Technology Development Organization and Advanced LCD Technologies Development Center Co. Ltd.

PY - 2007/4/15

Y1 - 2007/4/15

N2 - Molecular-dynamics (MD) simulations of excimer-laser annealed Si using the Tersoff potential have been performed and the processes of the nucleation and crystallization of Si are monitored by the order parameter for each atom. The order parameter which identifies each atom belonging to the crystalline phase in amorphous and liquid-like environment is presented by a four-body correlation function. The simulation results show that the atomistic processes of the nucleation and crystallization of Si on crystalline Si (c-Si) substrates can be divided into several stages. Twins with low formation energy disturb the further crystallization of nucleus along the [1 1 1] direction.

AB - Molecular-dynamics (MD) simulations of excimer-laser annealed Si using the Tersoff potential have been performed and the processes of the nucleation and crystallization of Si are monitored by the order parameter for each atom. The order parameter which identifies each atom belonging to the crystalline phase in amorphous and liquid-like environment is presented by a four-body correlation function. The simulation results show that the atomistic processes of the nucleation and crystallization of Si on crystalline Si (c-Si) substrates can be divided into several stages. Twins with low formation energy disturb the further crystallization of nucleus along the [1 1 1] direction.

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Molecular-dynamics analysis of the nucleation and crystallization process of Si

Abstract

Bibliographical note

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