Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation

A first-principles parameter-free calculation that includes full three-dimensional band structure and dynamical exchange correlations is reported for the dynamical surface response and surface plasmon (SP) on a simple metal prototype surface Mg(0001). We demonstrate that band structure effects have...

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Detalhes bibliográficos
Autores: Silkin, Viatcheslav M., Chulkov, Eugene V., Echenique, Pedro M.
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2004
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/224230
Acesso em linha:http://hdl.handle.net/10261/224230
Access Level:acceso abierto
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spelling Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculationSilkin, Viatcheslav M.Chulkov, Eugene V.Echenique, Pedro M.A first-principles parameter-free calculation that includes full three-dimensional band structure and dynamical exchange correlations is reported for the dynamical surface response and surface plasmon (SP) on a simple metal prototype surface Mg(0001). We demonstrate that band structure effects have a more profound impact on the SP characteristics than dynamical exchange correlations. A comparison with jellium and one-dimensional potential evaluations shows that the band structure is of paramount importance for the correct description of the SP linewidth and also leads to a better description of the SP energy dispersion. The inclusion of the exchange-correlation kernel results in a better agreement with experimental data. We show that lateral crystal local field effects have a negligible impact on the SP properties. Significant anisotropy is predicted for the SP linewidth.We acknowledge partial support by MCyT (Grant No. MAT 2001-0946) and the European FP6 Network of Excellence (FP6-NoE NANOQUANTA(500198-2)).Peer reviewedAmerican Physical SocietyMinisterio de Ciencia y Tecnología (España)European CommissionConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202020202004info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/224230reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttps://doi.org/10.1103/PhysRevLett.93.176801Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2242302026-05-22T06:33:51Z
dc.title.none.fl_str_mv Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
title Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
spellingShingle Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
Silkin, Viatcheslav M.
title_short Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
title_full Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
title_fullStr Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
title_full_unstemmed Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
title_sort Band structure versus dynamical exchange-correlation effects in surface plasmon energy and damping: A first-principles calculation
dc.creator.none.fl_str_mv Silkin, Viatcheslav M.
Chulkov, Eugene V.
Echenique, Pedro M.
author Silkin, Viatcheslav M.
author_facet Silkin, Viatcheslav M.
Chulkov, Eugene V.
Echenique, Pedro M.
author_role author
author2 Chulkov, Eugene V.
Echenique, Pedro M.
author2_role author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia y Tecnología (España)
European Commission
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description A first-principles parameter-free calculation that includes full three-dimensional band structure and dynamical exchange correlations is reported for the dynamical surface response and surface plasmon (SP) on a simple metal prototype surface Mg(0001). We demonstrate that band structure effects have a more profound impact on the SP characteristics than dynamical exchange correlations. A comparison with jellium and one-dimensional potential evaluations shows that the band structure is of paramount importance for the correct description of the SP linewidth and also leads to a better description of the SP energy dispersion. The inclusion of the exchange-correlation kernel results in a better agreement with experimental data. We show that lateral crystal local field effects have a negligible impact on the SP properties. Significant anisotropy is predicted for the SP linewidth.
publishDate 2004
dc.date.none.fl_str_mv 2004
2020
2020
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/10261/224230
url http://hdl.handle.net/10261/224230
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://doi.org/10.1103/PhysRevLett.93.176801
Sí
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 15,198674

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