Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice

We obtain the lowest energy 2D arrangements of atoms adsorbed on a hexagonal lattice, assuming rational coverage and a repulsive dipolar adsorbate-adsorbate interaction. To this end we exhaustively explore the ordered arrangements compatible with the coverage, including those that have multiatomic u...

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Detalles Bibliográficos
Autores: Arce, H, Mochan, WL, Gutierrez, JJ
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:1996
País:México
Institución:Universidad Nacional Autónoma de México
Repositorio:Sistema de Información de la Facultad de Ciencias, UNAM
OAI Identifier:oai:repositorio.fciencias.unam.mx:11154/2972
Acceso en línea:http://hdl.handle.net/11154/2972
Access Level:acceso abierto
Palabra clave:Chemistry, Physical
Physics, Condensed Matter
adatoms
alkali metals
atom-solid interactions, scattering, diffraction
equilibrium thermodynamics and statistical mechanics
platinum
single crystal surfaces
transition metals
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spelling Minimum energy 2D patterns of atoms adsorbed on a hexagonal latticeArce, HMochan, WLGutierrez, JJChemistry, PhysicalPhysics, Condensed Matteradatomsalkali metalsatom-solid interactions, scattering, diffractionequilibrium thermodynamics and statistical mechanicsplatinumsingle crystal surfacestransition metalsWe obtain the lowest energy 2D arrangements of atoms adsorbed on a hexagonal lattice, assuming rational coverage and a repulsive dipolar adsorbate-adsorbate interaction. To this end we exhaustively explore the ordered arrangements compatible with the coverage, including those that have multiatomic unit cells. For some coverages (theta=1/3, 1/4 and 1/7) we find a well defined ground state, and for others a nearly infinite degeneracy related to the possibility of creating dense arrays of linear defects with a negligible energy cost. We compare our results with some experimental determinations of surface structures in alkali overlayers on fcc (111) and hcp (0001) metal faces. Except for those systems that form islands, we have found agreement between our predicted ground states and experiment. Furthermore, no ordered structures with the coverages of our near degenerate states have been observed.2011-01-22T10:28:24Z2011-01-22T10:28:24Z1996info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article0039-6028http://hdl.handle.net/11154/29723116348(3):379-386reponame:Sistema de Información de la Facultad de Ciencias, UNAMinstname:Universidad Nacional Autónoma de Méxicoinstacron:UNAMenSurface Scienceinfo:eu-repo/semantics/openAccessoai:repositorio.fciencias.unam.mx:11154/29722025-09-17T19:21:26Z
dc.title.none.fl_str_mv Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
title Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
spellingShingle Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
Arce, H
Chemistry, Physical
Physics, Condensed Matter
adatoms
alkali metals
atom-solid interactions, scattering, diffraction
equilibrium thermodynamics and statistical mechanics
platinum
single crystal surfaces
transition metals
title_short Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
title_full Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
title_fullStr Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
title_full_unstemmed Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
title_sort Minimum energy 2D patterns of atoms adsorbed on a hexagonal lattice
dc.creator.none.fl_str_mv Arce, H
Mochan, WL
Gutierrez, JJ
author Arce, H
author_facet Arce, H
Mochan, WL
Gutierrez, JJ
author_role author
author2 Mochan, WL
Gutierrez, JJ
author2_role author
author
dc.subject.none.fl_str_mv Chemistry, Physical
Physics, Condensed Matter
adatoms
alkali metals
atom-solid interactions, scattering, diffraction
equilibrium thermodynamics and statistical mechanics
platinum
single crystal surfaces
transition metals
topic Chemistry, Physical
Physics, Condensed Matter
adatoms
alkali metals
atom-solid interactions, scattering, diffraction
equilibrium thermodynamics and statistical mechanics
platinum
single crystal surfaces
transition metals
description We obtain the lowest energy 2D arrangements of atoms adsorbed on a hexagonal lattice, assuming rational coverage and a repulsive dipolar adsorbate-adsorbate interaction. To this end we exhaustively explore the ordered arrangements compatible with the coverage, including those that have multiatomic unit cells. For some coverages (theta=1/3, 1/4 and 1/7) we find a well defined ground state, and for others a nearly infinite degeneracy related to the possibility of creating dense arrays of linear defects with a negligible energy cost. We compare our results with some experimental determinations of surface structures in alkali overlayers on fcc (111) and hcp (0001) metal faces. Except for those systems that form islands, we have found agreement between our predicted ground states and experiment. Furthermore, no ordered structures with the coverages of our near degenerate states have been observed.
publishDate 1996
dc.date.none.fl_str_mv 1996
2011-01-22T10:28:24Z
2011-01-22T10:28:24Z
dc.type.none.fl_str_mv info:eu-repo/semantics/publishedVersion
info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv 0039-6028
http://hdl.handle.net/11154/2972
3116
identifier_str_mv 0039-6028
3116
url http://hdl.handle.net/11154/2972
dc.language.none.fl_str_mv en
language_invalid_str_mv en
dc.relation.none.fl_str_mv Surface Science
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv 348(3):379-386
reponame:Sistema de Información de la Facultad de Ciencias, UNAM
instname:Universidad Nacional Autónoma de México
instacron:UNAM
instname_str Universidad Nacional Autónoma de México
instacron_str UNAM
institution UNAM
reponame_str Sistema de Información de la Facultad de Ciencias, UNAM
collection Sistema de Información de la Facultad de Ciencias, UNAM
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,811543

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