Molecular dynamics simulation of observed c(4×4) and c(4×3) C60 alignments on the Si(100) reconstructed surface

H. Rafii-Tabar; A. L. TambyRajah; H. Kamiyama; Y. Kawazoe

doi:10.1088/0965-0393/4/1/009

Molecular dynamics simulation of observed c(4×4) and c(4×3) C₆₀ alignments on the Si(100) reconstructed surface

H. Rafii-Tabar, A. L. TambyRajah, H. Kamiyama, Y. Kawazoe

New Industry Creation Hatchery Center (NICHe)

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

4 Citations (Scopus)

Abstract

We have implemented a large-scale classical molecular dynamics simulation at constant temperature to provide a theoretical insight into the results of a recently performed experiment on the monolayer and multi-layer formations of C₆₀ molecular films on the Si(100) reconstructed dimerized surface. Our simulation has successfully reproduced all of the morphologies observed on the C₆₀ monolayer film by this experiment. We have obtained the formation of both c(4 × 4) and c(4 × 3) structures of the molecules and have also obtained phase transitions of the former into the latter.

Original language	English
Pages (from-to)	101-110
Number of pages	10
Journal	Modelling and Simulation in Materials Science and Engineering
Volume	4
Issue number	1
DOIs	https://doi.org/10.1088/0965-0393/4/1/009
Publication status	Published - 1996 Jan

ASJC Scopus subject areas

Modelling and Simulation
Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Computer Science Applications

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10.1088/0965-0393/4/1/009

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abstract = "We have implemented a large-scale classical molecular dynamics simulation at constant temperature to provide a theoretical insight into the results of a recently performed experiment on the monolayer and multi-layer formations of C60 molecular films on the Si(100) reconstructed dimerized surface. Our simulation has successfully reproduced all of the morphologies observed on the C60 monolayer film by this experiment. We have obtained the formation of both c(4 × 4) and c(4 × 3) structures of the molecules and have also obtained phase transitions of the former into the latter.",

author = "H. Rafii-Tabar and TambyRajah, {A. L.} and H. Kamiyama and Y. Kawazoe",

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AU - Rafii-Tabar, H.

AU - TambyRajah, A. L.

AU - Kamiyama, H.

AU - Kawazoe, Y.

PY - 1996/1

Y1 - 1996/1

N2 - We have implemented a large-scale classical molecular dynamics simulation at constant temperature to provide a theoretical insight into the results of a recently performed experiment on the monolayer and multi-layer formations of C60 molecular films on the Si(100) reconstructed dimerized surface. Our simulation has successfully reproduced all of the morphologies observed on the C60 monolayer film by this experiment. We have obtained the formation of both c(4 × 4) and c(4 × 3) structures of the molecules and have also obtained phase transitions of the former into the latter.

AB - We have implemented a large-scale classical molecular dynamics simulation at constant temperature to provide a theoretical insight into the results of a recently performed experiment on the monolayer and multi-layer formations of C60 molecular films on the Si(100) reconstructed dimerized surface. Our simulation has successfully reproduced all of the morphologies observed on the C60 monolayer film by this experiment. We have obtained the formation of both c(4 × 4) and c(4 × 3) structures of the molecules and have also obtained phase transitions of the former into the latter.

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Molecular dynamics simulation of observed c(4×4) and c(4×3) C₆₀ alignments on the Si(100) reconstructed surface

Abstract

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