Heterogeneous crystallization of amorphous silicon expedited by external force fields: A molecular dynamics study

S. H. Park; H. J. Kim; D. B. Lee; J. S. Lee; Y. K. Choi; O. M. Kwon

doi:10.1016/j.spmi.2003.10.002

Heterogeneous crystallization of amorphous silicon expedited by external force fields: A molecular dynamics study

S. H. Park, H. J. Kim, D. B. Lee, J. S. Lee, Y. K. Choi, O. M. Kwon

Research output: Contribution to journal › Conference article › peer-review

6 Citations (Scopus)

Abstract

Applying a molecular dynamics simulation technique with the Tersoff potential, we investigate the isothermal crystallization processes of amorphous silicon (a-Si). To obtain a realistic amorphous structure, a rapid quenching process from liquid-phase at 3500 K to solid-phase at 500 K is simulated at a rate of 10¹² K/s and the Voronoi analysis is conducted to observe atomic structural changes during this cooling process. This amorphous structure is utilized to simulate the crystallization processes at various process temperatures with and without external force fields. While homogeneous crystallization of a-Si could not be achieved readily, it is shown that the heterogeneous crystallization can be significantly accelerated by external force fields. This enhancement is owing to increased molecular jumping frequencies associated with the molecular potential energies being increased by external excitations, rather than due to thermal mechanisms normally found in conventional solid-phase crystallization processes.

Original language	English
Pages (from-to)	205-215
Number of pages	11
Journal	Superlattices and Microstructures
Volume	35
Issue number	3-6
DOIs	https://doi.org/10.1016/j.spmi.2003.10.002
Publication status	Published - 2004 Mar
Event	Eurotherm 75: Microscale Heat Transfer 2 - Reims, France Duration: 2003 Jul 8 → 2003 Jul 10

Bibliographical note

Funding Information:
The authors gratefully acknowledge the financial support from the Micro Thermal System Research Center sponsored by the Korean Science and Engineering Foundation.

Keywords

Crystallization of amorphous silicon
External field enhanced crystallization
Tersoff potential
Voronoi analysis

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Electrical and Electronic Engineering

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10.1016/j.spmi.2003.10.002

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title = "Heterogeneous crystallization of amorphous silicon expedited by external force fields: A molecular dynamics study",

abstract = "Applying a molecular dynamics simulation technique with the Tersoff potential, we investigate the isothermal crystallization processes of amorphous silicon (a-Si). To obtain a realistic amorphous structure, a rapid quenching process from liquid-phase at 3500 K to solid-phase at 500 K is simulated at a rate of 1012 K/s and the Voronoi analysis is conducted to observe atomic structural changes during this cooling process. This amorphous structure is utilized to simulate the crystallization processes at various process temperatures with and without external force fields. While homogeneous crystallization of a-Si could not be achieved readily, it is shown that the heterogeneous crystallization can be significantly accelerated by external force fields. This enhancement is owing to increased molecular jumping frequencies associated with the molecular potential energies being increased by external excitations, rather than due to thermal mechanisms normally found in conventional solid-phase crystallization processes.",

keywords = "Crystallization of amorphous silicon, External field enhanced crystallization, Tersoff potential, Voronoi analysis",

author = "Park, {S. H.} and Kim, {H. J.} and Lee, {D. B.} and Lee, {J. S.} and Choi, {Y. K.} and Kwon, {O. M.}",

note = "Funding Information: The authors gratefully acknowledge the financial support from the Micro Thermal System Research Center sponsored by the Korean Science and Engineering Foundation. ; Eurotherm 75: Microscale Heat Transfer 2 ; Conference date: 08-07-2003 Through 10-07-2003",

year = "2004",

month = mar,

doi = "10.1016/j.spmi.2003.10.002",

language = "English",

volume = "35",

pages = "205--215",

journal = "Superlattices and Microstructures",

issn = "0749-6036",

publisher = "Academic Press Inc.",

number = "3-6",

}

TY - JOUR

T1 - Heterogeneous crystallization of amorphous silicon expedited by external force fields

T2 - Eurotherm 75: Microscale Heat Transfer 2

AU - Park, S. H.

AU - Kim, H. J.

AU - Lee, D. B.

AU - Lee, J. S.

AU - Choi, Y. K.

AU - Kwon, O. M.

N1 - Funding Information: The authors gratefully acknowledge the financial support from the Micro Thermal System Research Center sponsored by the Korean Science and Engineering Foundation.

PY - 2004/3

Y1 - 2004/3

N2 - Applying a molecular dynamics simulation technique with the Tersoff potential, we investigate the isothermal crystallization processes of amorphous silicon (a-Si). To obtain a realistic amorphous structure, a rapid quenching process from liquid-phase at 3500 K to solid-phase at 500 K is simulated at a rate of 1012 K/s and the Voronoi analysis is conducted to observe atomic structural changes during this cooling process. This amorphous structure is utilized to simulate the crystallization processes at various process temperatures with and without external force fields. While homogeneous crystallization of a-Si could not be achieved readily, it is shown that the heterogeneous crystallization can be significantly accelerated by external force fields. This enhancement is owing to increased molecular jumping frequencies associated with the molecular potential energies being increased by external excitations, rather than due to thermal mechanisms normally found in conventional solid-phase crystallization processes.

AB - Applying a molecular dynamics simulation technique with the Tersoff potential, we investigate the isothermal crystallization processes of amorphous silicon (a-Si). To obtain a realistic amorphous structure, a rapid quenching process from liquid-phase at 3500 K to solid-phase at 500 K is simulated at a rate of 1012 K/s and the Voronoi analysis is conducted to observe atomic structural changes during this cooling process. This amorphous structure is utilized to simulate the crystallization processes at various process temperatures with and without external force fields. While homogeneous crystallization of a-Si could not be achieved readily, it is shown that the heterogeneous crystallization can be significantly accelerated by external force fields. This enhancement is owing to increased molecular jumping frequencies associated with the molecular potential energies being increased by external excitations, rather than due to thermal mechanisms normally found in conventional solid-phase crystallization processes.

KW - Crystallization of amorphous silicon

KW - External field enhanced crystallization

KW - Tersoff potential

KW - Voronoi analysis

UR - http://www.scopus.com/inward/record.url?scp=4344587763&partnerID=8YFLogxK

U2 - 10.1016/j.spmi.2003.10.002

DO - 10.1016/j.spmi.2003.10.002

M3 - Conference article

AN - SCOPUS:4344587763

SN - 0749-6036

VL - 35

SP - 205

EP - 215

JO - Superlattices and Microstructures

JF - Superlattices and Microstructures

IS - 3-6

Y2 - 8 July 2003 through 10 July 2003

ER -

Heterogeneous crystallization of amorphous silicon expedited by external force fields: A molecular dynamics study

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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