Atomic jumps during surface diffusion

Autores
Ferron, Julio; Miranda, R.; de Miguel, J.
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The characteristics of atomic displacements during surface diffusion of Cu on Cu(111) are studied by means of molecular dynamics simulations. It is found that even at very low substrate temperatures, the majority of the jumps are correlated, i.e., the displacement directions are not randomly chosen but rather keep some sort of memory from the previous moves and are influenced by them. Long jumps, spanning several surface unit cells, are observed at all temperatures. From an analysis of their length probability distribution information can be obtained about the mechanisms of friction and energy transfer between the diffusing adatom and the substrate. Both long jumps and recrossings (displacements in which the adatom moves back and forth between two adjacent adsorption sites) appear with a higher activation energy than normal diffusion. Finally, the influence of the instantaneous atomic configuration of the substrate on the adatom’s trajectory is also highlighted.
Fil: Ferron, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Miranda, R.. Universidad Autónoma de Madrid; España
Fil: de Miguel, J.. Universidad Autónoma de Madrid; España
Materia
Surface Diffusion
Molecular Dynamics
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/17123
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/17123
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Atomic jumps during surface diffusionFerron, JulioMiranda, R.de Miguel, J.Surface DiffusionMolecular Dynamicshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The characteristics of atomic displacements during surface diffusion of Cu on Cu(111) are studied by means of molecular dynamics simulations. It is found that even at very low substrate temperatures, the majority of the jumps are correlated, i.e., the displacement directions are not randomly chosen but rather keep some sort of memory from the previous moves and are influenced by them. Long jumps, spanning several surface unit cells, are observed at all temperatures. From an analysis of their length probability distribution information can be obtained about the mechanisms of friction and energy transfer between the diffusing adatom and the substrate. Both long jumps and recrossings (displacements in which the adatom moves back and forth between two adjacent adsorption sites) appear with a higher activation energy than normal diffusion. Finally, the influence of the instantaneous atomic configuration of the substrate on the adatom’s trajectory is also highlighted.Fil: Ferron, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Miranda, R.. Universidad Autónoma de Madrid; EspañaFil: de Miguel, J.. Universidad Autónoma de Madrid; EspañaAmerican Physical Society2009-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/17123Ferron, Julio; Miranda, R.; de Miguel, J.; Atomic jumps during surface diffusion; American Physical Society; Physical Review B; 79; 24; 12-2009; 2454071-24540790163-1829enginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.79.245407info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.79.245407info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:08:53Zoai:ri.conicet.gov.ar:11336/17123instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:08:53.33CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Atomic jumps during surface diffusion
title Atomic jumps during surface diffusion
spellingShingle Atomic jumps during surface diffusion
Ferron, Julio
Surface Diffusion
Molecular Dynamics
title_short Atomic jumps during surface diffusion
title_full Atomic jumps during surface diffusion
title_fullStr Atomic jumps during surface diffusion
title_full_unstemmed Atomic jumps during surface diffusion
title_sort Atomic jumps during surface diffusion
dc.creator.none.fl_str_mv Ferron, Julio
Miranda, R.
de Miguel, J.
author Ferron, Julio
author_facet Ferron, Julio
Miranda, R.
de Miguel, J.
author_role author
author2 Miranda, R.
de Miguel, J.
author2_role author
author
dc.subject.none.fl_str_mv Surface Diffusion
Molecular Dynamics
topic Surface Diffusion
Molecular Dynamics
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The characteristics of atomic displacements during surface diffusion of Cu on Cu(111) are studied by means of molecular dynamics simulations. It is found that even at very low substrate temperatures, the majority of the jumps are correlated, i.e., the displacement directions are not randomly chosen but rather keep some sort of memory from the previous moves and are influenced by them. Long jumps, spanning several surface unit cells, are observed at all temperatures. From an analysis of their length probability distribution information can be obtained about the mechanisms of friction and energy transfer between the diffusing adatom and the substrate. Both long jumps and recrossings (displacements in which the adatom moves back and forth between two adjacent adsorption sites) appear with a higher activation energy than normal diffusion. Finally, the influence of the instantaneous atomic configuration of the substrate on the adatom’s trajectory is also highlighted.
Fil: Ferron, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Miranda, R.. Universidad Autónoma de Madrid; España
Fil: de Miguel, J.. Universidad Autónoma de Madrid; España
description The characteristics of atomic displacements during surface diffusion of Cu on Cu(111) are studied by means of molecular dynamics simulations. It is found that even at very low substrate temperatures, the majority of the jumps are correlated, i.e., the displacement directions are not randomly chosen but rather keep some sort of memory from the previous moves and are influenced by them. Long jumps, spanning several surface unit cells, are observed at all temperatures. From an analysis of their length probability distribution information can be obtained about the mechanisms of friction and energy transfer between the diffusing adatom and the substrate. Both long jumps and recrossings (displacements in which the adatom moves back and forth between two adjacent adsorption sites) appear with a higher activation energy than normal diffusion. Finally, the influence of the instantaneous atomic configuration of the substrate on the adatom’s trajectory is also highlighted.
publishDate 2009
dc.date.none.fl_str_mv 2009-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/17123
Ferron, Julio; Miranda, R.; de Miguel, J.; Atomic jumps during surface diffusion; American Physical Society; Physical Review B; 79; 24; 12-2009; 2454071-2454079
0163-1829
url http://hdl.handle.net/11336/17123
identifier_str_mv Ferron, Julio; Miranda, R.; de Miguel, J.; Atomic jumps during surface diffusion; American Physical Society; Physical Review B; 79; 24; 12-2009; 2454071-2454079
0163-1829
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.79.245407
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.79.245407
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1842270061029490688
score 13.13397

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