Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches

We report the theoretical studies of electron and hole lifetimes in Nb, Mo, Rh, Pd, Ag by means of an ab initio many-body GW method and of a semiempirical scattering-theory approach (STA). The GW approach includes the evaluation of band structures within the local-density approximation linear muffin...

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Autores: Zhukov, Vladlen P., Aryasetiawan, F., Chulkov, Eugene V., Echenique, Pedro M.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2002
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/225112
Acceso en línea:http://hdl.handle.net/10261/225112
Access Level:acceso abierto
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spelling Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approachesZhukov, Vladlen P.Aryasetiawan, F.Chulkov, Eugene V.Echenique, Pedro M.We report the theoretical studies of electron and hole lifetimes in Nb, Mo, Rh, Pd, Ag by means of an ab initio many-body GW method and of a semiempirical scattering-theory approach (STA). The GW approach includes the evaluation of band structures within the local-density approximation linear muffin-tin orbital TB formalism and employment of random-phase approximation in the calculations of the dielectric functions and screened Coulomb interaction. We show that the density-of-states (DOS) convolution model of the STA provides a good approximation to the ab initio averaged lifetimes, the energy dependence of the matrix element being rather unimportant. We discuss the role of the characteristics of electronic structure responsible for the deexcitation of hot electrons as well as the deviations of the ab initio lifetimes from the predictions of the free-electron gas model and the DOS convolution model.Peer reviewedAmerican Physical SocietyConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202020202002info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/225112reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttps://doi.org/10.1103/PhysRevB.65.115116Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2251122026-05-22T06:33:51Z
dc.title.none.fl_str_mv Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
title Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
spellingShingle Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
Zhukov, Vladlen P.
title_short Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
title_full Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
title_fullStr Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
title_full_unstemmed Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
title_sort Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches
dc.creator.none.fl_str_mv Zhukov, Vladlen P.
Aryasetiawan, F.
Chulkov, Eugene V.
Echenique, Pedro M.
author Zhukov, Vladlen P.
author_facet Zhukov, Vladlen P.
Aryasetiawan, F.
Chulkov, Eugene V.
Echenique, Pedro M.
author_role author
author2 Aryasetiawan, F.
Chulkov, Eugene V.
Echenique, Pedro M.
author2_role author
author
author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description We report the theoretical studies of electron and hole lifetimes in Nb, Mo, Rh, Pd, Ag by means of an ab initio many-body GW method and of a semiempirical scattering-theory approach (STA). The GW approach includes the evaluation of band structures within the local-density approximation linear muffin-tin orbital TB formalism and employment of random-phase approximation in the calculations of the dielectric functions and screened Coulomb interaction. We show that the density-of-states (DOS) convolution model of the STA provides a good approximation to the ab initio averaged lifetimes, the energy dependence of the matrix element being rather unimportant. We discuss the role of the characteristics of electronic structure responsible for the deexcitation of hot electrons as well as the deviations of the ab initio lifetimes from the predictions of the free-electron gas model and the DOS convolution model.
publishDate 2002
dc.date.none.fl_str_mv 2002
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/10261/225112
url http://hdl.handle.net/10261/225112
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://doi.org/10.1103/PhysRevB.65.115116
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 15.81155

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