Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach

arXiv:cond-mat/0308126

Detalhes bibliográficos
Autores: Marinopoulos, A. G., Wirtz, Ludger, Marini, Andrea, Olevano, Valerio, Rubio, Angel, Reining, Lucia
Tipo de documento: artigo
Estado:Versión enviada para evaluación y publicación
Data de publicação:2004
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositório:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/98242
Acesso em linha:http://hdl.handle.net/10261/98242
Access Level:Acceso aberto
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spelling Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approachMarinopoulos, A. G.Wirtz, LudgerMarini, AndreaOlevano, ValerioRubio, AngelReining, LuciaarXiv:cond-mat/0308126We present results for the optical absorption spectra of small-diameter single-walled carbon and boron nitride nanotubes obtained by ab initio calculations in the framework of time-dependent density-functional theory. We compare the results with those obtained for the corresponding layered structures, i.e. the graphene and hexagonal boron nitride sheets. In particular, we focus on the role of depolarization effects, anisotropies, and interactions in the excited states. We show that the random phase approximation reproduces well the main features of the spectra when crystal local field effects are correctly included, and discuss to what extent the calculations can be further simplified by extrapolating results obtained for the layered systems to results expected for the tubes. The present results are relevant for the interpretation of data obtained by recent experimental tools for nanotube characterization, such as optical and fluorescence spectroscopies, as well as polarized resonant Raman scattering spectroscopy. We also address electron energy loss spectra in the small-q momentum-transfer limit. In this case, the interlayer and intertube interactions play an enhanced role with respect to optical spectroscopy.This work was supported by the European Community Research Training Networks NANOPHASE (HPRN-CT-2000-00167), COMELCAN (HPRN-CT-2000-00128), and M-DNA (IST-2001-38051), by the French Ministère de la Recherche through the project NABOCO (Programme No.MPH 724 D), by the SpanishMCyT (MAT2001- 0946), and by the University of the Basque Country (9/UPV 00206.215- 13639/2001). The computer time was granted by IDRIS (Project No. 544), DIPC, and CEPBA (Barcelona).Peer ReviewedSpringer Nature2014201420042014info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Preprintinfo:eu-repo/semantics/submittedVersionhttp://hdl.handle.net/10261/98242reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.1007/s00339-003-2467-zinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/982422026-05-22T06:33:51Z
dc.title.none.fl_str_mv Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
title Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
spellingShingle Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
Marinopoulos, A. G.
title_short Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
title_full Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
title_fullStr Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
title_full_unstemmed Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
title_sort Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach
dc.creator.none.fl_str_mv Marinopoulos, A. G.
Wirtz, Ludger
Marini, Andrea
Olevano, Valerio
Rubio, Angel
Reining, Lucia
author Marinopoulos, A. G.
author_facet Marinopoulos, A. G.
Wirtz, Ludger
Marini, Andrea
Olevano, Valerio
Rubio, Angel
Reining, Lucia
author_role author
author2 Wirtz, Ludger
Marini, Andrea
Olevano, Valerio
Rubio, Angel
Reining, Lucia
author2_role author
author
author
author
author
description arXiv:cond-mat/0308126
publishDate 2004
dc.date.none.fl_str_mv 2004
2014
2014
2014
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Preprint
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status_str submittedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/98242
url http://hdl.handle.net/10261/98242
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1007/s00339-003-2467-z
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Springer Nature
publisher.none.fl_str_mv Springer Nature
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
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score 15.812455

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