Graphene to graphite: electronic changes within DFT calculations

Detalhes bibliográficos
Autor(a) principal: AlZahrani,A.Z.
Data de Publicação: 2009
Outros Autores: Srivastava,G.P.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000600013
Resumo: Calculations based on the first-principles pseudopotential plane-wave method and density-functional theory are performed to investigate the electronic properties of graphene, bilayer graphene, multilayer graphene, and graphite. From an analysis of the electronic band structure close to the Fermi level, we have quantified the gradual change in the Fermi surface topology from the point-like structure for graphene to a warped triangular shape for graphite. We have also discussed the gradual change in the electron and hole effective masses and velocities as the system evolves from graphene to graphite.
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spelling Graphene to graphite: electronic changes within DFT calculationsGrapheneBilayer grapheneMultilayer grapheneGraphiteDensity functional theoryLocal density approximationPseudopotential theoryFermi surfaceElectronic structureCalculations based on the first-principles pseudopotential plane-wave method and density-functional theory are performed to investigate the electronic properties of graphene, bilayer graphene, multilayer graphene, and graphite. From an analysis of the electronic band structure close to the Fermi level, we have quantified the gradual change in the Fermi surface topology from the point-like structure for graphene to a warped triangular shape for graphite. We have also discussed the gradual change in the electron and hole effective masses and velocities as the system evolves from graphene to graphite.Sociedade Brasileira de Física2009-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000600013Brazilian Journal of Physics v.39 n.4 2009reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332009000600013info:eu-repo/semantics/openAccessAlZahrani,A.Z.Srivastava,G.P.eng2010-02-11T00:00:00Zoai:scielo:S0103-97332009000600013Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2010-02-11T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Graphene to graphite: electronic changes within DFT calculations
title Graphene to graphite: electronic changes within DFT calculations
spellingShingle Graphene to graphite: electronic changes within DFT calculations
AlZahrani,A.Z.
Graphene
Bilayer graphene
Multilayer graphene
Graphite
Density functional theory
Local density approximation
Pseudopotential theory
Fermi surface
Electronic structure
title_short Graphene to graphite: electronic changes within DFT calculations
title_full Graphene to graphite: electronic changes within DFT calculations
title_fullStr Graphene to graphite: electronic changes within DFT calculations
title_full_unstemmed Graphene to graphite: electronic changes within DFT calculations
title_sort Graphene to graphite: electronic changes within DFT calculations
author AlZahrani,A.Z.
author_facet AlZahrani,A.Z.
Srivastava,G.P.
author_role author
author2 Srivastava,G.P.
author2_role author
dc.contributor.author.fl_str_mv AlZahrani,A.Z.
Srivastava,G.P.
dc.subject.por.fl_str_mv Graphene
Bilayer graphene
Multilayer graphene
Graphite
Density functional theory
Local density approximation
Pseudopotential theory
Fermi surface
Electronic structure
topic Graphene
Bilayer graphene
Multilayer graphene
Graphite
Density functional theory
Local density approximation
Pseudopotential theory
Fermi surface
Electronic structure
description Calculations based on the first-principles pseudopotential plane-wave method and density-functional theory are performed to investigate the electronic properties of graphene, bilayer graphene, multilayer graphene, and graphite. From an analysis of the electronic band structure close to the Fermi level, we have quantified the gradual change in the Fermi surface topology from the point-like structure for graphene to a warped triangular shape for graphite. We have also discussed the gradual change in the electron and hole effective masses and velocities as the system evolves from graphene to graphite.
publishDate 2009
dc.date.none.fl_str_mv 2009-12-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000600013
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000600013
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97332009000600013
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.39 n.4 2009
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
_version_ 1754734865243176960

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