First-principles calculation of the electron inelastic mean free path in Be metal

The Be electron inelastic mean free path (IMFP) is calculated by using the GW approximation of many-body theory. It is demonstrated that the inclusion of band structure effects significantly improves the agreement between the calculated and measured IMFP in the energy range up to ∼30eV. We show that...

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Autores: Silkin, Viatcheslav M., Chulkov, Eugene V., Echenique, Pedro M.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2003
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/224772
Acceso en línea:http://hdl.handle.net/10261/224772
Access Level:acceso abierto
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spelling First-principles calculation of the electron inelastic mean free path in Be metalSilkin, Viatcheslav M.Chulkov, Eugene V.Echenique, Pedro M.The Be electron inelastic mean free path (IMFP) is calculated by using the GW approximation of many-body theory. It is demonstrated that the inclusion of band structure effects significantly improves the agreement between the calculated and measured IMFP in the energy range up to ∼30eV. We show that the main effect results from the electron group velocity obtained from ab initio band structure calculations, whereas the evaluated linewidth averaged over momenta is not significantly affected with respect to the prediction of a free electron gas model. The comparison of the IMFP computed within two models, namely, the free electron gas model and the full band structure model, supports the idea of the importance of band structure effects for the description of electron transport in this metal for energies below 30 eV, and a nearly free-electron-like behavior for excitation energies above 30 eV. The calculated plasmon dispersion is in excellent agreement with available experimental data.We acknowledge partial support by the University of the Basque Country, the Departamento de Educacion del Gobierno Vasco, and the Spanish Ministerio de Educacion y CulturaPeer reviewedAmerican Physical SocietyUniversidad del País VascoEusko JaurlaritzaMinisterio de Educación y Ciencia (España)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202020202003info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/224772reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttps://doi.org/10.1103/PhysRevB.68.205106Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2247722026-05-22T06:33:51Z
dc.title.none.fl_str_mv First-principles calculation of the electron inelastic mean free path in Be metal
title First-principles calculation of the electron inelastic mean free path in Be metal
spellingShingle First-principles calculation of the electron inelastic mean free path in Be metal
Silkin, Viatcheslav M.
title_short First-principles calculation of the electron inelastic mean free path in Be metal
title_full First-principles calculation of the electron inelastic mean free path in Be metal
title_fullStr First-principles calculation of the electron inelastic mean free path in Be metal
title_full_unstemmed First-principles calculation of the electron inelastic mean free path in Be metal
title_sort First-principles calculation of the electron inelastic mean free path in Be metal
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 Universidad del País Vasco
Eusko Jaurlaritza
Ministerio de Educación y Ciencia (España)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description The Be electron inelastic mean free path (IMFP) is calculated by using the GW approximation of many-body theory. It is demonstrated that the inclusion of band structure effects significantly improves the agreement between the calculated and measured IMFP in the energy range up to ∼30eV. We show that the main effect results from the electron group velocity obtained from ab initio band structure calculations, whereas the evaluated linewidth averaged over momenta is not significantly affected with respect to the prediction of a free electron gas model. The comparison of the IMFP computed within two models, namely, the free electron gas model and the full band structure model, supports the idea of the importance of band structure effects for the description of electron transport in this metal for energies below 30 eV, and a nearly free-electron-like behavior for excitation energies above 30 eV. The calculated plasmon dispersion is in excellent agreement with available experimental data.
publishDate 2003
dc.date.none.fl_str_mv 2003
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/10261/224772
url http://hdl.handle.net/10261/224772
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://doi.org/10.1103/PhysRevB.68.205106
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 15.811543

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