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Growth of graphene on 6H-SiC by molecular dynamics simulation

Growth of graphene on 6H-SiC by molecular dynamics simulation

Classical molecular-dynamics simulations were carried out to study epitaxial growth of graphene on 6H-SiC(0001) substrate. It was found that there exists a threshold annealing temperature above which we observe formation of graphitic structure on the substrate. To check the sensitivity of the simula...

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Main Authors: Jakse, N., Arifin, R., Lai, S.K.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2011
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/120056
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spelling irk-123456789-1200562017-06-11T03:05:10Z Growth of graphene on 6H-SiC by molecular dynamics simulation Jakse, N. Arifin, R. Lai, S.K. Classical molecular-dynamics simulations were carried out to study epitaxial growth of graphene on 6H-SiC(0001) substrate. It was found that there exists a threshold annealing temperature above which we observe formation of graphitic structure on the substrate. To check the sensitivity of the simulation results, we tested two empirical potentials and evaluated their reliability by the calculated characteristics of graphene, its carbon-carbon bond-length, pair correlation function, and binding energy. Для того, щоб дослiдити епiтаксiальний рiст графену на пiдкладцi 6H–SiC(0001) здiйснено симуляцiї методом класичної молекулярної динамiки. Знайдено iснування порогу температури вiдпалу, вище якої спостерiгається формування на пiдкладцi структури графену. Для того, щоб перевiрити чутливiсть результатiв симуляцiй, ми тестуємо два емпiричних потенцiали i оцiнюємо їхню надiйнiсть шляхом розрахунку характеристик графену, довжини зв’язку вуглець-вуглець, парної кореляцiйної функцiї та енергiї зв’язку. 2011 Article Growth of graphene on 6H-SiC by molecular dynamics simulation / N. Jakse, R. Arifin, S.K. Lai // Condensed Matter Physics. — 2011. — Т. 14, № 4. — С. 43802:1-7. — Бібліогр.: 12 назв. — англ. 1607-324X PACS: 81.05.ue 31.15.xv 68.55.A- DOI:10.5488/CMP.14.43802 arXiv:1202.4846 http://dspace.nbuv.gov.ua/handle/123456789/120056 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України
institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
collection DSpace DC
language English
description Classical molecular-dynamics simulations were carried out to study epitaxial growth of graphene on 6H-SiC(0001) substrate. It was found that there exists a threshold annealing temperature above which we observe formation of graphitic structure on the substrate. To check the sensitivity of the simulation results, we tested two empirical potentials and evaluated their reliability by the calculated characteristics of graphene, its carbon-carbon bond-length, pair correlation function, and binding energy.
format Article
author Jakse, N.
Arifin, R.
Lai, S.K.
spellingShingle Jakse, N.
Arifin, R.
Lai, S.K.
Growth of graphene on 6H-SiC by molecular dynamics simulation
Condensed Matter Physics
author_facet Jakse, N.
Arifin, R.
Lai, S.K.
author_sort Jakse, N.
title Growth of graphene on 6H-SiC by molecular dynamics simulation
title_short Growth of graphene on 6H-SiC by molecular dynamics simulation
title_full Growth of graphene on 6H-SiC by molecular dynamics simulation
title_fullStr Growth of graphene on 6H-SiC by molecular dynamics simulation
title_full_unstemmed Growth of graphene on 6H-SiC by molecular dynamics simulation
title_sort growth of graphene on 6h-sic by molecular dynamics simulation
publisher Інститут фізики конденсованих систем НАН України
publishDate 2011
url http://dspace.nbuv.gov.ua/handle/123456789/120056
citation_txt Growth of graphene on 6H-SiC by molecular dynamics simulation / N. Jakse, R. Arifin, S.K. Lai // Condensed Matter Physics. — 2011. — Т. 14, № 4. — С. 43802:1-7. — Бібліогр.: 12 назв. — англ.
series Condensed Matter Physics
work_keys_str_mv AT jaksen growthofgrapheneon6hsicbymoleculardynamicssimulation
AT arifinr growthofgrapheneon6hsicbymoleculardynamicssimulation
AT laisk growthofgrapheneon6hsicbymoleculardynamicssimulation
first_indexed 2023-10-18T20:36:06Z
last_indexed 2023-10-18T20:36:06Z
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