Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface

We calculate, within the density-functional theory, the atomic and electronic structure of the clean Pt(111) and Au(111) surfaces and the nML-Au/Pt(111) systems with n varying from one to three. The effect of the spin–orbital interaction was taken into account. Several new electronic states with str...

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Autores: Koroteev, Yury M., Silkin, Igor V., Silkin Silkina, Vyacheslav Mijailovich, Chulkov, Evgueni V.
Tipo de recurso: artículo
Fecha de publicación:2023
País:España
Institución:Universidad del País Vasco
Repositorio:Addi. Archivo Digital para la Docencia y la Investigación
OAI Identifier:oai:addi.ehu.eus:10810/64648
Acceso en línea:http://hdl.handle.net/10810/64648
Access Level:acceso abierto
Palabra clave:adsorbates
thin metal films
quantum well states
surface states
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spelling Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) SurfaceKoroteev, Yury M.Silkin, Igor V.Silkin Silkina, Vyacheslav MijailovichChulkov, Evgueni V.adsorbatesthin metal filmsquantum well statessurface statesWe calculate, within the density-functional theory, the atomic and electronic structure of the clean Pt(111) and Au(111) surfaces and the nML-Au/Pt(111) systems with n varying from one to three. The effect of the spin–orbital interaction was taken into account. Several new electronic states with strong localization in the surface region were found and discussed in the case of clean surfaces. The Au adlayers introduce numerous quantum well states in the energy regions corresponding to the projected bulk band continuum of Au(111). Moreover, the presence of states resembling the true Au(111) surface states can be detected at n = 2 and 3. The Au/Pd interface states are found as well. In nML-Au/Pt(111), the calculated work function presents a small variation with a variation of the number of the Au atomic layer. Nevertheless, the effect is significantly smaller in comparison to the s-p metals.Y.M.K. acknowledges partial support from the Government research assignment for ISPMS SB RAS with project FWRW-2022-0001 (in the part of band structure calculations). I.V.S. acknowledges financial support from the Ministry of Education and Science of the Russian Federation within State Task No. FSWM-2020-0033 (in the part of atomic structure calculations). V.M.S. acknowledges financial support by Grant PID2022-139230NB-I00 funded by MCIN/AEI/10.13039/501100011033. E.V.C. acknowledges funding from Saint Petersburg State University project for scientific investigations (ID No. 94031444).MDPI2024202420232024info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10810/64648reponame:Addi. Archivo Digital para la Docencia y la Investigacióninstname:Universidad del País VascoIngléshttps://www.mdpi.com/1996-1944/17/1/63info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/es/© 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/ 4.0/).oai:addi.ehu.eus:10810/646482026-06-18T09:23:17Z
dc.title.none.fl_str_mv Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
title Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
spellingShingle Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
Koroteev, Yury M.
adsorbates
thin metal films
quantum well states
surface states
title_short Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
title_full Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
title_fullStr Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
title_full_unstemmed Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
title_sort Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
dc.creator.none.fl_str_mv Koroteev, Yury M.
Silkin, Igor V.
Silkin Silkina, Vyacheslav Mijailovich
Chulkov, Evgueni V.
author Koroteev, Yury M.
author_facet Koroteev, Yury M.
Silkin, Igor V.
Silkin Silkina, Vyacheslav Mijailovich
Chulkov, Evgueni V.
author_role author
author2 Silkin, Igor V.
Silkin Silkina, Vyacheslav Mijailovich
Chulkov, Evgueni V.
author2_role author
author
author
dc.subject.none.fl_str_mv adsorbates
thin metal films
quantum well states
surface states
topic adsorbates
thin metal films
quantum well states
surface states
description We calculate, within the density-functional theory, the atomic and electronic structure of the clean Pt(111) and Au(111) surfaces and the nML-Au/Pt(111) systems with n varying from one to three. The effect of the spin–orbital interaction was taken into account. Several new electronic states with strong localization in the surface region were found and discussed in the case of clean surfaces. The Au adlayers introduce numerous quantum well states in the energy regions corresponding to the projected bulk band continuum of Au(111). Moreover, the presence of states resembling the true Au(111) surface states can be detected at n = 2 and 3. The Au/Pd interface states are found as well. In nML-Au/Pt(111), the calculated work function presents a small variation with a variation of the number of the Au atomic layer. Nevertheless, the effect is significantly smaller in comparison to the s-p metals.
publishDate 2023
dc.date.none.fl_str_mv 2023
2024
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/10810/64648
url http://hdl.handle.net/10810/64648
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://www.mdpi.com/1996-1944/17/1/63
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/es/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/es/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv MDPI
publisher.none.fl_str_mv MDPI
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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score 15.301603

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