Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects

The dielectric-response functions of crystalline ropes of metallic single-walled carbon nanotubes were determined from time-dependent density-functional theory in the random-phase approximation. Interband transitions and plasmonic excitations were studied as a function of momentum transfer. The impa...

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Autores: Marinopoulos, A. G., Reining, Lucia, Rubio, Angel
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2008
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/97362
Acesso em linha:http://hdl.handle.net/10261/97362
Access Level:acceso abierto
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spelling Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effectsMarinopoulos, A. G.Reining, LuciaRubio, AngelThe dielectric-response functions of crystalline ropes of metallic single-walled carbon nanotubes were determined from time-dependent density-functional theory in the random-phase approximation. Interband transitions and plasmonic excitations were studied as a function of momentum transfer. The impact of the tube diameter was shown for the (n,n) armchair-type series (n ranging from 3 to 8) covering a diameter range from 4 to 11 Å. Helicity effects were examined for the thinnest tubes, the armchair (3,3) versus the zigzag (5,0) configurations. Our results give detailed insight into the various kinds of excitations that can be observed in ropes of nanotubes. Recent experimental findings and trends by electron energy loss and Raman spectroscopies are reproduced and explained. © 2008 The American Physical Society.This work was supported by the EC-RTN program NANOPHASE Contract No. HPRN-CT-2000-00167, by the Spanish MEC Contract No. FIS2007-65702-C02-01 and Grupos Consolidados UPV/EHU of the Basque Country Government 2007, and by the European Community through NoE Nanoquanta Contract No. NMP4-CT-2004-500198, SANES Contract No. NMP4-CT-2006-017310, DNA-NANODEVICES Contract No. IST-2006-029192, and NANO-ERA Chemistry projects, UPV/EHU SGIker Arina. A.R. also acknowledges support from the Ecole Polytechnique during a sabbatical leave in 2001 when this work was started. Computer time was granted by IDRIS Project No. 544.Peer ReviewedAmerican Physical Society2014201420082014info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/97362reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.1103/PhysRevB.78.235428info:eu-repo/semantics/openAccessoai:digital.csic.es:10261/973622026-05-22T06:33:51Z
dc.title.none.fl_str_mv Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
title Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
spellingShingle Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
Marinopoulos, A. G.
title_short Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
title_full Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
title_fullStr Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
title_full_unstemmed Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
title_sort Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
dc.creator.none.fl_str_mv Marinopoulos, A. G.
Reining, Lucia
Rubio, Angel
author Marinopoulos, A. G.
author_facet Marinopoulos, A. G.
Reining, Lucia
Rubio, Angel
author_role author
author2 Reining, Lucia
Rubio, Angel
author2_role author
author
description The dielectric-response functions of crystalline ropes of metallic single-walled carbon nanotubes were determined from time-dependent density-functional theory in the random-phase approximation. Interband transitions and plasmonic excitations were studied as a function of momentum transfer. The impact of the tube diameter was shown for the (n,n) armchair-type series (n ranging from 3 to 8) covering a diameter range from 4 to 11 Å. Helicity effects were examined for the thinnest tubes, the armchair (3,3) versus the zigzag (5,0) configurations. Our results give detailed insight into the various kinds of excitations that can be observed in ropes of nanotubes. Recent experimental findings and trends by electron energy loss and Raman spectroscopies are reproduced and explained. © 2008 The American Physical Society.
publishDate 2008
dc.date.none.fl_str_mv 2008
2014
2014
2014
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/97362
url http://hdl.handle.net/10261/97362
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1103/PhysRevB.78.235428
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812455

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