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Article: Lateral in-plane coupling between graphene nanoribbons: a density functional study
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TitleLateral in-plane coupling between graphene nanoribbons: a density functional study
 
AuthorsZhao, J3
Dai, X2 3
Dai, Y3
Zhao, B3
Xie, M1
 
KeywordsDensity-functional study
Edge state
Effective coupling
First-principles
Graphene nanoribbons
 
Issue Date2012
 
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jap.aip.org/jap/staff.jsp
 
CitationJournal of Applied Physics, 2012, v. 111 n. 4, article no. 043714 [How to Cite?]
DOI: http://dx.doi.org/10.1063/1.3686673
 
AbstractProperties brought about by lateral in-plane coupling between graphene nanoribbons (GNRs) are investigated using the first-principle total energy calculations. It is found that, when two GNRs approach each other, the lateral coupling between the two brings about edge state splitting. Between zigzag-edged graphene nanoribbons (ZGNRs), the coupling mainly results from Coulomb and spin-spin interaction, while for armchair-edged graphene nanoribbons (AGNRs), it is from Coulomb interaction only. It is further found that the maximum inter-ribbon distance for effective coupling depends on the type of ribbons, which is ∼10 Å for ZGNRs, but ∼6 Å for AGNRs. Also, displacements of the GNRs along the ribbon direction are found to affect the electronic properties of the coupled GNRs. The results may be important for the microminiaturization of future nanoelectronic and spintronic devices based on graphene. © 2012 American Institute of Physics.
 
ISSN0021-8979
2013 Impact Factor: 2.185
 
DOIhttp://dx.doi.org/10.1063/1.3686673
 
ISI Accession Number IDWOS:000300948600052
Funding AgencyGrant Number
National Natural Science Foundation of China (NSFC)11047026
Henan Science and Technology Innovation Talent Support Program2008HASTIT030
Funding Information:

This research work has been supported by the National Natural Science Foundation of China (NSFC) under Grant No. 11047026 and Henan Science and Technology Innovation Talent Support Program (2008HASTIT030).

 
DC FieldValue
dc.contributor.authorZhao, J
 
dc.contributor.authorDai, X
 
dc.contributor.authorDai, Y
 
dc.contributor.authorZhao, B
 
dc.contributor.authorXie, M
 
dc.date.accessioned2012-03-27T09:02:07Z
 
dc.date.available2012-03-27T09:02:07Z
 
dc.date.issued2012
 
dc.description.abstractProperties brought about by lateral in-plane coupling between graphene nanoribbons (GNRs) are investigated using the first-principle total energy calculations. It is found that, when two GNRs approach each other, the lateral coupling between the two brings about edge state splitting. Between zigzag-edged graphene nanoribbons (ZGNRs), the coupling mainly results from Coulomb and spin-spin interaction, while for armchair-edged graphene nanoribbons (AGNRs), it is from Coulomb interaction only. It is further found that the maximum inter-ribbon distance for effective coupling depends on the type of ribbons, which is ∼10 Å for ZGNRs, but ∼6 Å for AGNRs. Also, displacements of the GNRs along the ribbon direction are found to affect the electronic properties of the coupled GNRs. The results may be important for the microminiaturization of future nanoelectronic and spintronic devices based on graphene. © 2012 American Institute of Physics.
 
dc.description.naturepublished_or_final_version
 
dc.identifier.citationJournal of Applied Physics, 2012, v. 111 n. 4, article no. 043714 [How to Cite?]
DOI: http://dx.doi.org/10.1063/1.3686673
 
dc.identifier.doihttp://dx.doi.org/10.1063/1.3686673
 
dc.identifier.hkuros198997
 
dc.identifier.isiWOS:000300948600052
Funding AgencyGrant Number
National Natural Science Foundation of China (NSFC)11047026
Henan Science and Technology Innovation Talent Support Program2008HASTIT030
Funding Information:

This research work has been supported by the National Natural Science Foundation of China (NSFC) under Grant No. 11047026 and Henan Science and Technology Innovation Talent Support Program (2008HASTIT030).

 
dc.identifier.issn0021-8979
2013 Impact Factor: 2.185
 
dc.identifier.issue4, article no. 043714
 
dc.identifier.scopuseid_2-s2.0-84863259797
 
dc.identifier.urihttp://hdl.handle.net/10722/145921
 
dc.identifier.volume111
 
dc.languageeng
 
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jap.aip.org/jap/staff.jsp
 
dc.publisher.placeUnited States
 
dc.relation.ispartofJournal of Applied Physics
 
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License
 
dc.rightsCopyright (2012) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in (Journal of Applied Physics, 2012, v. 111 n. 4, article no. 043714) and may be found at (http://jap.aip.org/resource/1/japiau/v111/i4/p043714_s1).
 
dc.subjectDensity-functional study
 
dc.subjectEdge state
 
dc.subjectEffective coupling
 
dc.subjectFirst-principles
 
dc.subjectGraphene nanoribbons
 
dc.titleLateral in-plane coupling between graphene nanoribbons: a density functional study
 
dc.typeArticle
 
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<contributor.author>Dai, X</contributor.author>
<contributor.author>Dai, Y</contributor.author>
<contributor.author>Zhao, B</contributor.author>
<contributor.author>Xie, M</contributor.author>
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<description.abstract>Properties brought about by lateral in-plane coupling between graphene nanoribbons (GNRs) are investigated using the first-principle total energy calculations. It is found that, when two GNRs approach each other, the lateral coupling between the two brings about edge state splitting. Between zigzag-edged graphene nanoribbons (ZGNRs), the coupling mainly results from Coulomb and spin-spin interaction, while for armchair-edged graphene nanoribbons (AGNRs), it is from Coulomb interaction only. It is further found that the maximum inter-ribbon distance for effective coupling depends on the type of ribbons, which is &#8764;10 &#197; for ZGNRs, but &#8764;6 &#197; for AGNRs. Also, displacements of the GNRs along the ribbon direction are found to affect the electronic properties of the coupled GNRs. The results may be important for the microminiaturization of future nanoelectronic and spintronic devices based on graphene. &#169; 2012 American Institute of Physics.</description.abstract>
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Author Affiliations
  1. The University of Hong Kong
  2. Zhengzhou Teachers College
  3. Henan Normal University