Electron momentum density and Compton profile by a semi-empirical approach

Autores
Aguiar, J. C.; Mitnik, Dario Marcelo; Di Rocco, Hector Omar
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi–Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron–electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z¼3–50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.
Fil: Aguiar, J. C.. Autoridad Regulatoria Nuclear; Argentina
Fil: Mitnik, Dario Marcelo. 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
Fil: Di Rocco, Hector Omar. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Fisica Arroyo Seco; Argentina
Materia
Compton Profile
Electron Momentum Density
Local Density Approximation
Lam-Platzman Correction
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:11336/21534
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Electron momentum density and Compton profile by a semi-empirical approachAguiar, J. C.Mitnik, Dario MarceloDi Rocco, Hector OmarCompton ProfileElectron Momentum DensityLocal Density ApproximationLam-Platzman Correctionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi–Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron–electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z¼3–50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.Fil: Aguiar, J. C.. Autoridad Regulatoria Nuclear; ArgentinaFil: Mitnik, Dario Marcelo. 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; ArgentinaFil: Di Rocco, Hector Omar. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Fisica Arroyo Seco; ArgentinaElsevier2015-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/21534Aguiar, J. C.; Mitnik, Dario Marcelo; Di Rocco, Hector Omar; Electron momentum density and Compton profile by a semi-empirical approach; Elsevier; Journal of Physics and Chemistry of Solids; 83; 3-2015; 64-690022-3697CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jpcs.2015.03.023info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022369715000785info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:03:42Zoai:ri.conicet.gov.ar:11336/21534instacron: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 13:03:42.396CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Electron momentum density and Compton profile by a semi-empirical approach
title Electron momentum density and Compton profile by a semi-empirical approach
spellingShingle Electron momentum density and Compton profile by a semi-empirical approach
Aguiar, J. C.
Compton Profile
Electron Momentum Density
Local Density Approximation
Lam-Platzman Correction
title_short Electron momentum density and Compton profile by a semi-empirical approach
title_full Electron momentum density and Compton profile by a semi-empirical approach
title_fullStr Electron momentum density and Compton profile by a semi-empirical approach
title_full_unstemmed Electron momentum density and Compton profile by a semi-empirical approach
title_sort Electron momentum density and Compton profile by a semi-empirical approach
dc.creator.none.fl_str_mv Aguiar, J. C.
Mitnik, Dario Marcelo
Di Rocco, Hector Omar
author Aguiar, J. C.
author_facet Aguiar, J. C.
Mitnik, Dario Marcelo
Di Rocco, Hector Omar
author_role author
author2 Mitnik, Dario Marcelo
Di Rocco, Hector Omar
author2_role author
author
dc.subject.none.fl_str_mv Compton Profile
Electron Momentum Density
Local Density Approximation
Lam-Platzman Correction
topic Compton Profile
Electron Momentum Density
Local Density Approximation
Lam-Platzman Correction
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi–Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron–electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z¼3–50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.
Fil: Aguiar, J. C.. Autoridad Regulatoria Nuclear; Argentina
Fil: Mitnik, Dario Marcelo. 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
Fil: Di Rocco, Hector Omar. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Fisica Arroyo Seco; Argentina
description Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi–Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron–electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z¼3–50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.
publishDate 2015
dc.date.none.fl_str_mv 2015-03
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/11336/21534
Aguiar, J. C.; Mitnik, Dario Marcelo; Di Rocco, Hector Omar; Electron momentum density and Compton profile by a semi-empirical approach; Elsevier; Journal of Physics and Chemistry of Solids; 83; 3-2015; 64-69
0022-3697
CONICET Digital
CONICET
url http://hdl.handle.net/11336/21534
identifier_str_mv Aguiar, J. C.; Mitnik, Dario Marcelo; Di Rocco, Hector Omar; Electron momentum density and Compton profile by a semi-empirical approach; Elsevier; Journal of Physics and Chemistry of Solids; 83; 3-2015; 64-69
0022-3697
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jpcs.2015.03.023
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022369715000785
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
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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 12.993085

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