Van der Waals effects in GIFAD for light atoms on insulating surfaces

Autores
Bocan, Gisela Anahí; Fuhr, Javier Daniel; Gravielle, Maria Silvia
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We theoretically address grazing incidence fast atom diffraction (GIFAD) for light atoms on insulating alkali-halide surfaces. We combine a description of the projectile-surface interaction obtained from density functional theory (DFT) calculations with a semiquantum treatment of the dynamics. We obtain simulated intensity profiles and compare them with reported experimental GIFAD patterns. For different systems and incidence conditions we focus on the relevance of van der Waals (vdW) interactions on the diffraction patterns.
Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Fuhr, Javier Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Gravielle, Maria Silvia. Consejo Nacional de Investigaciónes Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; Argentina
Materia
Atom diffraction
Surface
Van der Waals
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:11336/70791
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/70791
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Van der Waals effects in GIFAD for light atoms on insulating surfacesBocan, Gisela AnahíFuhr, Javier DanielGravielle, Maria SilviaAtom diffractionSurfaceVan der Waalshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We theoretically address grazing incidence fast atom diffraction (GIFAD) for light atoms on insulating alkali-halide surfaces. We combine a description of the projectile-surface interaction obtained from density functional theory (DFT) calculations with a semiquantum treatment of the dynamics. We obtain simulated intensity profiles and compare them with reported experimental GIFAD patterns. For different systems and incidence conditions we focus on the relevance of van der Waals (vdW) interactions on the diffraction patterns.Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Fuhr, Javier Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Gravielle, Maria Silvia. Consejo Nacional de Investigaciónes Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; ArgentinaIOP Publishing2017-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/70791Bocan, Gisela Anahí; Fuhr, Javier Daniel; Gravielle, Maria Silvia; Van der Waals effects in GIFAD for light atoms on insulating surfaces; IOP Publishing; Journal of Physics: Conference Series; 875; 12; 8-2017; 1-2; 1120021742-6588CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/1742-6596/875/12/112002info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-6596/875/12/112002info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:19:00Zoai:ri.conicet.gov.ar:11336/70791instacron: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:34982025-09-10 13:19:00.926CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Van der Waals effects in GIFAD for light atoms on insulating surfaces
title Van der Waals effects in GIFAD for light atoms on insulating surfaces
spellingShingle Van der Waals effects in GIFAD for light atoms on insulating surfaces
Bocan, Gisela Anahí
Atom diffraction
Surface
Van der Waals
title_short Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_full Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_fullStr Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_full_unstemmed Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_sort Van der Waals effects in GIFAD for light atoms on insulating surfaces
dc.creator.none.fl_str_mv Bocan, Gisela Anahí
Fuhr, Javier Daniel
Gravielle, Maria Silvia
author Bocan, Gisela Anahí
author_facet Bocan, Gisela Anahí
Fuhr, Javier Daniel
Gravielle, Maria Silvia
author_role author
author2 Fuhr, Javier Daniel
Gravielle, Maria Silvia
author2_role author
author
dc.subject.none.fl_str_mv Atom diffraction
Surface
Van der Waals
topic Atom diffraction
Surface
Van der Waals
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We theoretically address grazing incidence fast atom diffraction (GIFAD) for light atoms on insulating alkali-halide surfaces. We combine a description of the projectile-surface interaction obtained from density functional theory (DFT) calculations with a semiquantum treatment of the dynamics. We obtain simulated intensity profiles and compare them with reported experimental GIFAD patterns. For different systems and incidence conditions we focus on the relevance of van der Waals (vdW) interactions on the diffraction patterns.
Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Fuhr, Javier Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Gravielle, Maria Silvia. Consejo Nacional de Investigaciónes Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; Argentina
description We theoretically address grazing incidence fast atom diffraction (GIFAD) for light atoms on insulating alkali-halide surfaces. We combine a description of the projectile-surface interaction obtained from density functional theory (DFT) calculations with a semiquantum treatment of the dynamics. We obtain simulated intensity profiles and compare them with reported experimental GIFAD patterns. For different systems and incidence conditions we focus on the relevance of van der Waals (vdW) interactions on the diffraction patterns.
publishDate 2017
dc.date.none.fl_str_mv 2017-08
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/11336/70791
Bocan, Gisela Anahí; Fuhr, Javier Daniel; Gravielle, Maria Silvia; Van der Waals effects in GIFAD for light atoms on insulating surfaces; IOP Publishing; Journal of Physics: Conference Series; 875; 12; 8-2017; 1-2; 112002
1742-6588
CONICET Digital
CONICET
url http://hdl.handle.net/11336/70791
identifier_str_mv Bocan, Gisela Anahí; Fuhr, Javier Daniel; Gravielle, Maria Silvia; Van der Waals effects in GIFAD for light atoms on insulating surfaces; IOP Publishing; Journal of Physics: Conference Series; 875; 12; 8-2017; 1-2; 112002
1742-6588
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/1742-6596/875/12/112002
info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-6596/875/12/112002
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 IOP Publishing
publisher.none.fl_str_mv IOP Publishing
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
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score 12.48226

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