Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters

Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters

We investigate the size effects on the structures and thermal conductivity of silicon nanoclusters (SiNCs) using molecular dynamics simulations. We demonstrate that as the diameter of the SiNCs increases from 1.80 nm to 3.46 nm, the cluster structure changes from an amorphous state to a crystalline...

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Main Authors: Hai-Peng Li, Rui-Qin Zhang
Format: Article
Language:English
Published: AIP Publishing LLC 2013-08-01
Series:AIP Advances
Online Access:http://link.aip.org/link/doi/10.1063/1.4818591
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spelling doaj-d6e45ef5ae0a492d988f5634ab8ea2ab2020-11-25T00:22:20ZengAIP Publishing LLCAIP Advances2158-32262013-08-013808211408211410.1063/1.4818591Size-dependent structural characteristics and phonon thermal transport in silicon nanoclustersHai-Peng LiRui-Qin ZhangWe investigate the size effects on the structures and thermal conductivity of silicon nanoclusters (SiNCs) using molecular dynamics simulations. We demonstrate that as the diameter of the SiNCs increases from 1.80 nm to 3.46 nm, the cluster structure changes from an amorphous state to a crystalline state at 300 K, which is in good agreement with the experimental findings. Our calculated thermal conductivity of the SiNCs shows a size-dependent effect due to the remarkable phonon-boundary scattering and can be about three orders of magnitude lower than that of bulk Si.http://link.aip.org/link/doi/10.1063/1.4818591
collection DOAJ
language English
format Article
sources DOAJ
author Hai-Peng Li
Rui-Qin Zhang
spellingShingle Hai-Peng Li
Rui-Qin Zhang
Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters
AIP Advances
author_facet Hai-Peng Li
Rui-Qin Zhang
author_sort Hai-Peng Li
title Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters
title_short Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters
title_full Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters
title_fullStr Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters
title_full_unstemmed Size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters
title_sort size-dependent structural characteristics and phonon thermal transport in silicon nanoclusters
publisher AIP Publishing LLC
series AIP Advances
issn 2158-3226
publishDate 2013-08-01
description We investigate the size effects on the structures and thermal conductivity of silicon nanoclusters (SiNCs) using molecular dynamics simulations. We demonstrate that as the diameter of the SiNCs increases from 1.80 nm to 3.46 nm, the cluster structure changes from an amorphous state to a crystalline state at 300 K, which is in good agreement with the experimental findings. Our calculated thermal conductivity of the SiNCs shows a size-dependent effect due to the remarkable phonon-boundary scattering and can be about three orders of magnitude lower than that of bulk Si.
url http://link.aip.org/link/doi/10.1063/1.4818591
work_keys_str_mv AT haipengli sizedependentstructuralcharacteristicsandphononthermaltransportinsiliconnanoclusters
AT ruiqinzhang sizedependentstructuralcharacteristicsandphononthermaltransportinsiliconnanoclusters
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