Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
dc.contributor.author | Koroteev, Yury M. | |
dc.contributor.author | Silkin, Igor V. | |
dc.contributor.author | Silkin Silkina, Vyacheslav Mijailovich | |
dc.contributor.author | Chulkov, Evgueni V. | |
dc.date.accessioned | 2024-02-05T15:56:14Z | |
dc.date.available | 2024-02-05T15:56:14Z | |
dc.date.issued | 2023-12-22 | |
dc.identifier.citation | Materials 17(1) : (2024) // Article ID 63 | es_ES |
dc.identifier.issn | 1996-1944 | |
dc.identifier.uri | http://hdl.handle.net/10810/64648 | |
dc.description.abstract | 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. | es_ES |
dc.description.sponsorship | 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). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | MDPI | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/es/ | |
dc.subject | adsorbates | es_ES |
dc.subject | thin metal films | es_ES |
dc.subject | quantum well states | es_ES |
dc.subject | surface states | es_ES |
dc.title | Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.date.updated | 2024-01-10T14:50:25Z | |
dc.rights.holder | © 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/). | es_ES |
dc.relation.publisherversion | https://www.mdpi.com/1996-1944/17/1/63 | es_ES |
dc.identifier.doi | 10.3390/ma17010063 | |
dc.departamentoes | Polímeros y Materiales Avanzados: Física, Química y Tecnología | |
dc.departamentoeu | Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia |
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Except where otherwise noted, this item's license is described as © 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/).