Zigzag graphene nanoribbon edge reconstruction with stone-wales defects

Detalhes bibliográficos
Autor(a) principal: Rodrigues, João N. B.
Data de Publicação: 2011
Outros Autores: Gonçalves, Paulo André Dias, Rodrigues, N. F. G., Ribeiro, R. M., Santos, J. M. B. Lopes dos, Peres, N. M. R.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/1822/15804
Resumo: In this paper, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab initio calculations of very narrow ribbons. We explore the characteristics of the electronic band structure with a focus on the nature of edge states. Edge reconstruction allows the appearance of a new type of edge states. They are dispersive, with nonzero amplitudes in both sublattices; furthermore, the amplitudes have two components that decrease with different decay lengths with the distance from the edge; at the Dirac points one of these lengths diverges, whereas the other remains finite, of the order of the lattice parameter. We trace this curious effect to the doubling of the unit cell along the edge, brought about by the edge reconstruction. In the presence of a magnetic field, the zero-energy Landau level is no longer degenerate with edge states as in the case of the pristine zigzag ribbon.
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spelling Zigzag graphene nanoribbon edge reconstruction with stone-wales defectsGrapheneNanoribbonsStone-Wales defectsedge reconstructionScience & TechnologyIn this paper, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab initio calculations of very narrow ribbons. We explore the characteristics of the electronic band structure with a focus on the nature of edge states. Edge reconstruction allows the appearance of a new type of edge states. They are dispersive, with nonzero amplitudes in both sublattices; furthermore, the amplitudes have two components that decrease with different decay lengths with the distance from the edge; at the Dirac points one of these lengths diverges, whereas the other remains finite, of the order of the lattice parameter. We trace this curious effect to the doubling of the unit cell along the edge, brought about by the edge reconstruction. In the presence of a magnetic field, the zero-energy Landau level is no longer degenerate with edge states as in the case of the pristine zigzag ribbon.Fundacao para a Ciência e a Tecnologia (FCT) SFRH/BD/44456/2008.FEDER - Programa Operacional Factores de Competitividade - COMPETEAmerican Physical SocietyUniversidade do MinhoRodrigues, João N. B.Gonçalves, Paulo André DiasRodrigues, N. F. G.Ribeiro, R. M.Santos, J. M. B. Lopes dosPeres, N. M. R.20112011-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/1822/15804eng1098-01211550-235X10.1103/PhysRevB.84.155435http://www.aps.org/info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-07-21T12:15:24Zoai:repositorium.sdum.uminho.pt:1822/15804Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T19:07:49.968399Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
title Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
spellingShingle Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
Rodrigues, João N. B.
Graphene
Nanoribbons
Stone-Wales defects
edge reconstruction
Science & Technology
title_short Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
title_full Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
title_fullStr Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
title_full_unstemmed Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
title_sort Zigzag graphene nanoribbon edge reconstruction with stone-wales defects
author Rodrigues, João N. B.
author_facet Rodrigues, João N. B.
Gonçalves, Paulo André Dias
Rodrigues, N. F. G.
Ribeiro, R. M.
Santos, J. M. B. Lopes dos
Peres, N. M. R.
author_role author
author2 Gonçalves, Paulo André Dias
Rodrigues, N. F. G.
Ribeiro, R. M.
Santos, J. M. B. Lopes dos
Peres, N. M. R.
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Rodrigues, João N. B.
Gonçalves, Paulo André Dias
Rodrigues, N. F. G.
Ribeiro, R. M.
Santos, J. M. B. Lopes dos
Peres, N. M. R.
dc.subject.por.fl_str_mv Graphene
Nanoribbons
Stone-Wales defects
edge reconstruction
Science & Technology
topic Graphene
Nanoribbons
Stone-Wales defects
edge reconstruction
Science & Technology
description In this paper, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab initio calculations of very narrow ribbons. We explore the characteristics of the electronic band structure with a focus on the nature of edge states. Edge reconstruction allows the appearance of a new type of edge states. They are dispersive, with nonzero amplitudes in both sublattices; furthermore, the amplitudes have two components that decrease with different decay lengths with the distance from the edge; at the Dirac points one of these lengths diverges, whereas the other remains finite, of the order of the lattice parameter. We trace this curious effect to the doubling of the unit cell along the edge, brought about by the edge reconstruction. In the presence of a magnetic field, the zero-energy Landau level is no longer degenerate with edge states as in the case of the pristine zigzag ribbon.
publishDate 2011
dc.date.none.fl_str_mv 2011
2011-01-01T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/1822/15804
url http://hdl.handle.net/1822/15804
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1098-0121
1550-235X
10.1103/PhysRevB.84.155435
http://www.aps.org/
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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