Quantum size effects of Pb overlayers at high coverages.

We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(1 1 1) films have been measured up to about 30 MLs. We demonstrate that t...

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Detalles Bibliográficos
Autores: Ayuela Fernández, Andrés, Ogando Arregui, Eduardo, Zabala Unzalu, Miren Nerea
Tipo de recurso: artículo
Fecha de publicación:2007
País:España
Institución:Universidad del País Vasco
Repositorio:Addi. Archivo Digital para la Docencia y la Investigación
OAI Identifier:oai:addi.ehu.eus:10810/65860
Acceso en línea:http://hdl.handle.net/10810/65860
Access Level:acceso abierto
Palabra clave:Ab initio calculations
Quantum wells
Thin films
Quantum size effects
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spelling Quantum size effects of Pb overlayers at high coverages.Ayuela Fernández, AndrésOgando Arregui, EduardoZabala Unzalu, Miren NereaAb initio calculationsQuantum wellsThin filmsQuantum size effectsWe have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(1 1 1) films have been measured up to about 30 MLs. We demonstrate that this behaviour continues even for higher thickness due to an extra second modulation pattern in the energetics of the metal film as a function of the number of atomic layers. The origin of this second modulation is the nesting of two close values of the Fermi wavelength in the (1 1 1) direction.This work was supported by the ETORTEK (NANOMAT) program of the Basque government, Spanish Ministerio de Ciencia y Tecnología (MCyT) of Spain (Grant No. Fis 2004-06490-CO3-00) and the European Network of Excellence NANOQUANTA (NM4-CT-2004-500198). The SGI/IZO-SGIker UPV/EHU (supported by the National Program for the Promotion of Human Resources within the National Plan of Scientific Research, Development and Innovation—Fondo Social Europeo, MCyT and Basque Government) is gratefully acknowledged for allocation of computational resources.Elsevier202420242007info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10810/65860reponame:Addi. Archivo Digital para la Docencia y la Investigacióninstname:Universidad del País VascoIngléshttps://www.sciencedirect.com/science/article/pii/S0169433207009245info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/3.0/es/© 2007. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/oai:addi.ehu.eus:10810/658602026-06-18T09:23:17Z
dc.title.none.fl_str_mv Quantum size effects of Pb overlayers at high coverages.
title Quantum size effects of Pb overlayers at high coverages.
spellingShingle Quantum size effects of Pb overlayers at high coverages.
Ayuela Fernández, Andrés
Ab initio calculations
Quantum wells
Thin films
Quantum size effects
title_short Quantum size effects of Pb overlayers at high coverages.
title_full Quantum size effects of Pb overlayers at high coverages.
title_fullStr Quantum size effects of Pb overlayers at high coverages.
title_full_unstemmed Quantum size effects of Pb overlayers at high coverages.
title_sort Quantum size effects of Pb overlayers at high coverages.
dc.creator.none.fl_str_mv Ayuela Fernández, Andrés
Ogando Arregui, Eduardo
Zabala Unzalu, Miren Nerea
author Ayuela Fernández, Andrés
author_facet Ayuela Fernández, Andrés
Ogando Arregui, Eduardo
Zabala Unzalu, Miren Nerea
author_role author
author2 Ogando Arregui, Eduardo
Zabala Unzalu, Miren Nerea
author2_role author
author
dc.subject.none.fl_str_mv Ab initio calculations
Quantum wells
Thin films
Quantum size effects
topic Ab initio calculations
Quantum wells
Thin films
Quantum size effects
description We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(1 1 1) films have been measured up to about 30 MLs. We demonstrate that this behaviour continues even for higher thickness due to an extra second modulation pattern in the energetics of the metal film as a function of the number of atomic layers. The origin of this second modulation is the nesting of two close values of the Fermi wavelength in the (1 1 1) direction.
publishDate 2007
dc.date.none.fl_str_mv 2007
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10810/65860
url http://hdl.handle.net/10810/65860
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://www.sciencedirect.com/science/article/pii/S0169433207009245
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Addi. Archivo Digital para la Docencia y la Investigación
instname:Universidad del País Vasco
instname_str Universidad del País Vasco
reponame_str Addi. Archivo Digital para la Docencia y la Investigación
collection Addi. Archivo Digital para la Docencia y la Investigación
repository.name.fl_str_mv
repository.mail.fl_str_mv
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