Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations

We present the results of the GW+T ab initio calculations for the inelastic lifetimes and mean free path (IMFP) of low-energy excited electrons in Fe, Ni, Pt, and Au. For Fe and Ni we show that the T-matrix terms, incorporating the Stoner’s excitations and spin-wave emission, contribute to the IMFP...

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Detalles Bibliográficos
Autores: Zhukov, Vladlen P., Chulkov, Eugene V., Echenique, Pedro M.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2006
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/225103
Acceso en línea:http://hdl.handle.net/10261/225103
Access Level:acceso abierto
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spelling Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculationsZhukov, Vladlen P.Chulkov, Eugene V.Echenique, Pedro M.We present the results of the GW+T ab initio calculations for the inelastic lifetimes and mean free path (IMFP) of low-energy excited electrons in Fe, Ni, Pt, and Au. For Fe and Ni we show that the T-matrix terms, incorporating the Stoner’s excitations and spin-wave emission, contribute to the IMFP of the spin-minority electrons with excitation energy below 1.2eV, whereas the GW term dominates at higher energy. We find that the spin dependence of IMFP in Ni is governed mainly by the spin dependence of lifetimes, but in Fe it relates mainly to the spin dependence of group velocities. We show that the "random k” model of the electron decay with fixed matrix element well agrees with the GW term of the lifetimes thus showing that the energy and spin dependence of the lifetimes are determined mainly by the convolutions of densities of states. For Au the inclusion of T-matrix terms with electron-hole scattering greatly reduces the calculated IMFP, bringing them into better agreement with experimental data.This work was partially supported by the University of the Basque Country, the Departamento de Educación del Gobierno Vasco, MCyT Grant No. Mat 2001-0946, and the European Community 6th Network of Excellence NANOQUANTA -NMP4-CT-2004-500198.Peer reviewedAmerican Physical SocietyUniversidad del País VascoEusko JaurlaritzaMinisterio de Ciencia y Tecnología (España)European CommissionConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202020202006info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/225103reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttps://doi.org/10.1103/PhysRevB.73.125105Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2251032026-05-22T06:33:51Z
dc.title.none.fl_str_mv Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
title Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
spellingShingle Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
Zhukov, Vladlen P.
title_short Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
title_full Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
title_fullStr Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
title_full_unstemmed Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
title_sort Lifetimes and inelastic mean free path of low-energy excited electrons in Fe, Ni, Pt, and Au: Ab initio GW + T calculations
dc.creator.none.fl_str_mv Zhukov, Vladlen P.
Chulkov, Eugene V.
Echenique, Pedro M.
author Zhukov, Vladlen P.
author_facet Zhukov, Vladlen P.
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 Ciencia y Tecnología (España)
European Commission
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description We present the results of the GW+T ab initio calculations for the inelastic lifetimes and mean free path (IMFP) of low-energy excited electrons in Fe, Ni, Pt, and Au. For Fe and Ni we show that the T-matrix terms, incorporating the Stoner’s excitations and spin-wave emission, contribute to the IMFP of the spin-minority electrons with excitation energy below 1.2eV, whereas the GW term dominates at higher energy. We find that the spin dependence of IMFP in Ni is governed mainly by the spin dependence of lifetimes, but in Fe it relates mainly to the spin dependence of group velocities. We show that the "random k” model of the electron decay with fixed matrix element well agrees with the GW term of the lifetimes thus showing that the energy and spin dependence of the lifetimes are determined mainly by the convolutions of densities of states. For Au the inclusion of T-matrix terms with electron-hole scattering greatly reduces the calculated IMFP, bringing them into better agreement with experimental data.
publishDate 2006
dc.date.none.fl_str_mv 2006
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/10261/225103
url http://hdl.handle.net/10261/225103
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://doi.org/10.1103/PhysRevB.73.125105
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 15.812429

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