Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction

Autores
Rios Rubiano, Carlos Alberto; Bocan, Gisela Anahí; Gravielle, Maria Silvia; Bundaleski, N.; Khemliche, H.; Roncin, P.
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Experimental diffraction patterns produced by grazing scattering of fast helium atoms from a Ag(110) surface are used as a sensitive tool to test an ab initio potential model derived from accurate density-functional theory (DFT) calculations. The scattering process is described by means of the surface eikonal approximation, which is a distorted-wave method that includes the quantum interference between contributions coming from different projectile paths, taking into account the complete corrugation of the three-dimensional projectile-surface potential. A fairly good agreement between the theoretical and experimental momentum distributions is found for incidence along different low-indexed crystallographic directions. This agreement is indicative of the quality of the DFT potential. The effective corrugation of the interaction potential across the incidence channel is also investigated.
Fil: Rios Rubiano, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio(i); Argentina. Universidad de Buenos Aires; Argentina
Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Gravielle, Maria Silvia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio(i); Argentina. Universidad de Buenos Aires; Argentina
Fil: Bundaleski, N.. Universidade Nova de Lisboa. Faculdade de Ciencias e Tecnologia. Department of Physics; Portugal
Fil: Khemliche, H.. Centre National de la Recherche Scientifique; Francia. Universite Paris Sud; Francia
Fil: Roncin, P.. Centre National de la Recherche Scientifique; Francia. Universite Paris Sud; Francia
Materia
Diffraction
Crystal
Atom
Grazing
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:11336/11214
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffractionRios Rubiano, Carlos AlbertoBocan, Gisela AnahíGravielle, Maria SilviaBundaleski, N.Khemliche, H.Roncin, P.DiffractionCrystalAtomGrazinghttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Experimental diffraction patterns produced by grazing scattering of fast helium atoms from a Ag(110) surface are used as a sensitive tool to test an ab initio potential model derived from accurate density-functional theory (DFT) calculations. The scattering process is described by means of the surface eikonal approximation, which is a distorted-wave method that includes the quantum interference between contributions coming from different projectile paths, taking into account the complete corrugation of the three-dimensional projectile-surface potential. A fairly good agreement between the theoretical and experimental momentum distributions is found for incidence along different low-indexed crystallographic directions. This agreement is indicative of the quality of the DFT potential. The effective corrugation of the interaction potential across the incidence channel is also investigated.Fil: Rios Rubiano, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio(i); Argentina. Universidad de Buenos Aires; ArgentinaFil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); ArgentinaFil: Gravielle, Maria Silvia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio(i); Argentina. Universidad de Buenos Aires; ArgentinaFil: Bundaleski, N.. Universidade Nova de Lisboa. Faculdade de Ciencias e Tecnologia. Department of Physics; PortugalFil: Khemliche, H.. Centre National de la Recherche Scientifique; Francia. Universite Paris Sud; FranciaFil: Roncin, P.. Centre National de la Recherche Scientifique; Francia. Universite Paris Sud; FranciaAmerican Physical Society2013-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/11214Rios Rubiano, Carlos Alberto; Bocan, Gisela Anahí; Gravielle, Maria Silvia; Bundaleski, N.; Khemliche, H.; et al.; Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 87; 1; 1-2013; 12903-129101050-2947enginfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/pra/abstract/10.1103/PhysRevA.87.012903info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevA.87.012903info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:18:26Zoai:ri.conicet.gov.ar:11336/11214instacron: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:34982025-10-15 15:18:26.617CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
title Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
spellingShingle Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
Rios Rubiano, Carlos Alberto
Diffraction
Crystal
Atom
Grazing
title_short Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
title_full Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
title_fullStr Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
title_full_unstemmed Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
title_sort Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
dc.creator.none.fl_str_mv Rios Rubiano, Carlos Alberto
Bocan, Gisela Anahí
Gravielle, Maria Silvia
Bundaleski, N.
Khemliche, H.
Roncin, P.
author Rios Rubiano, Carlos Alberto
author_facet Rios Rubiano, Carlos Alberto
Bocan, Gisela Anahí
Gravielle, Maria Silvia
Bundaleski, N.
Khemliche, H.
Roncin, P.
author_role author
author2 Bocan, Gisela Anahí
Gravielle, Maria Silvia
Bundaleski, N.
Khemliche, H.
Roncin, P.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Diffraction
Crystal
Atom
Grazing
topic Diffraction
Crystal
Atom
Grazing
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Experimental diffraction patterns produced by grazing scattering of fast helium atoms from a Ag(110) surface are used as a sensitive tool to test an ab initio potential model derived from accurate density-functional theory (DFT) calculations. The scattering process is described by means of the surface eikonal approximation, which is a distorted-wave method that includes the quantum interference between contributions coming from different projectile paths, taking into account the complete corrugation of the three-dimensional projectile-surface potential. A fairly good agreement between the theoretical and experimental momentum distributions is found for incidence along different low-indexed crystallographic directions. This agreement is indicative of the quality of the DFT potential. The effective corrugation of the interaction potential across the incidence channel is also investigated.
Fil: Rios Rubiano, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio(i); Argentina. Universidad de Buenos Aires; Argentina
Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Gravielle, Maria Silvia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio(i); Argentina. Universidad de Buenos Aires; Argentina
Fil: Bundaleski, N.. Universidade Nova de Lisboa. Faculdade de Ciencias e Tecnologia. Department of Physics; Portugal
Fil: Khemliche, H.. Centre National de la Recherche Scientifique; Francia. Universite Paris Sud; Francia
Fil: Roncin, P.. Centre National de la Recherche Scientifique; Francia. Universite Paris Sud; Francia
description Experimental diffraction patterns produced by grazing scattering of fast helium atoms from a Ag(110) surface are used as a sensitive tool to test an ab initio potential model derived from accurate density-functional theory (DFT) calculations. The scattering process is described by means of the surface eikonal approximation, which is a distorted-wave method that includes the quantum interference between contributions coming from different projectile paths, taking into account the complete corrugation of the three-dimensional projectile-surface potential. A fairly good agreement between the theoretical and experimental momentum distributions is found for incidence along different low-indexed crystallographic directions. This agreement is indicative of the quality of the DFT potential. The effective corrugation of the interaction potential across the incidence channel is also investigated.
publishDate 2013
dc.date.none.fl_str_mv 2013-01
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/11336/11214
Rios Rubiano, Carlos Alberto; Bocan, Gisela Anahí; Gravielle, Maria Silvia; Bundaleski, N.; Khemliche, H.; et al.; Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 87; 1; 1-2013; 12903-12910
1050-2947
url http://hdl.handle.net/11336/11214
identifier_str_mv Rios Rubiano, Carlos Alberto; Bocan, Gisela Anahí; Gravielle, Maria Silvia; Bundaleski, N.; Khemliche, H.; et al.; Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction; American Physical Society; Physical Review A: Atomic, Molecular and Optical Physics; 87; 1; 1-2013; 12903-12910
1050-2947
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/pra/abstract/10.1103/PhysRevA.87.012903
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevA.87.012903
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
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_ 1846083333505679360
score 13.22299

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