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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| Veröffentlicht in: | Condensed Matter Physics |
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| Datum: | 2011 |
| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | Englisch |
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Інститут фізики конденсованих систем НАН України
2011
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| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/120056 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | 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. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862748646850691072 |
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| author | Jakse, N. Arifin, R. Lai, S.K. |
| author_facet | Jakse, N. Arifin, R. Lai, S.K. |
| 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. |
| collection | DSpace DC |
| container_title | Condensed Matter Physics |
| 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.
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.
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| first_indexed | 2025-12-07T20:55:31Z |
| format | Article |
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| id | nasplib_isofts_kiev_ua-123456789-120056 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1607-324X |
| language | English |
| last_indexed | 2025-12-07T20:55:31Z |
| publishDate | 2011 |
| publisher | Інститут фізики конденсованих систем НАН України |
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| spelling | Jakse, N. Arifin, R. Lai, S.K. 2017-06-10T19:52:57Z 2017-06-10T19:52:57Z 2011 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 https://nasplib.isofts.kiev.ua/handle/123456789/120056 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. The author would like to thank the National Science Council of Taiwan for financial support (NSC100–2119–M–008–023). We are grateful to the National Center for High-performance Computing, Taiwan for computer time and facilities. The supercomputing resource center Phynum/CIMENT is gratefully acknowledged for providing computing time. en Інститут фізики конденсованих систем НАН України Condensed Matter Physics Growth of graphene on 6H-SiC by molecular dynamics simulation Рiст графену на 6H–SiC в симуляцiях методом молекулярної динамiки Article published earlier |
| spellingShingle | Growth of graphene on 6H-SiC by molecular dynamics simulation Jakse, N. Arifin, R. Lai, S.K. |
| title | Growth of graphene on 6H-SiC by molecular dynamics simulation |
| title_alt | Рiст графену на 6H–SiC в симуляцiях методом молекулярної динамiки |
| 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_short | Growth of graphene on 6H-SiC by molecular dynamics simulation |
| title_sort | growth of graphene on 6h-sic by molecular dynamics simulation |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/120056 |
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