Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3

Autores
Burton, B.; Cockayne, E.; Tinte, Silvia Noemi; Waghmare, U.
Año de publicación
2008
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Molecular dynamics simulations were performed on a frst-principles-based effective Hamiltonian for Pb(Sc1/2Nb1/2)O3 (PSN) with nearest neighbor Pb-O divacancy pairs. Simulations were performed for PSN with ideal chemical order, chemical short-range order, and random chemical disorder. Divacancy concentration vs temperature, X[Pb-O] vs T, phase diagrams were calculated, and they are shown to be topologically equivalent to the previously calculated hydrostatic pressure vs temperature diagram. In PSN with ideal chemical order, the Burns temperature defnes an isotherm, which is analogous to the "Griffiths phase" in the magnetic dilution problem.
Fil: Burton, B.. National Institute Of Standards And Technology; Estados Unidos
Fil: Cockayne, E.. National Institute Of Standards And Technology; Estados Unidos
Fil: Tinte, Silvia Noemi. 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: Waghmare, U.. J. Nehru Theoretical Sciences Unit; India
Materia
Relaxor Ferroelectrics
Phase Transitions
Lead Vacancies
Oxygen Vacancies
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:11336/18568
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/18568
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3Burton, B.Cockayne, E.Tinte, Silvia NoemiWaghmare, U.Relaxor FerroelectricsPhase TransitionsLead VacanciesOxygen Vacancieshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Molecular dynamics simulations were performed on a frst-principles-based effective Hamiltonian for Pb(Sc1/2Nb1/2)O3 (PSN) with nearest neighbor Pb-O divacancy pairs. Simulations were performed for PSN with ideal chemical order, chemical short-range order, and random chemical disorder. Divacancy concentration vs temperature, X[Pb-O] vs T, phase diagrams were calculated, and they are shown to be topologically equivalent to the previously calculated hydrostatic pressure vs temperature diagram. In PSN with ideal chemical order, the Burns temperature defnes an isotherm, which is analogous to the "Griffiths phase" in the magnetic dilution problem.Fil: Burton, B.. National Institute Of Standards And Technology; Estados UnidosFil: Cockayne, E.. National Institute Of Standards And Technology; Estados UnidosFil: Tinte, Silvia Noemi. 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: Waghmare, U.. J. Nehru Theoretical Sciences Unit; IndiaAmerican Physical Society2008-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/18568Burton, B.; Cockayne, E.; Tinte, Silvia Noemi; Waghmare, U.; Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3; American Physical Society; Physical Review B: Condensed Matter And Materials Physics; 77; 14; 12-2008; 1-8; 1441141098-0121enginfo:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.77.144114info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.77.144114info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:11:05Zoai:ri.conicet.gov.ar:11336/18568instacron: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:34982025-10-22 11:11:05.462CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
title Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
spellingShingle Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
Burton, B.
Relaxor Ferroelectrics
Phase Transitions
Lead Vacancies
Oxygen Vacancies
title_short Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
title_full Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
title_fullStr Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
title_full_unstemmed Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
title_sort Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
dc.creator.none.fl_str_mv Burton, B.
Cockayne, E.
Tinte, Silvia Noemi
Waghmare, U.
author Burton, B.
author_facet Burton, B.
Cockayne, E.
Tinte, Silvia Noemi
Waghmare, U.
author_role author
author2 Cockayne, E.
Tinte, Silvia Noemi
Waghmare, U.
author2_role author
author
author
dc.subject.none.fl_str_mv Relaxor Ferroelectrics
Phase Transitions
Lead Vacancies
Oxygen Vacancies
topic Relaxor Ferroelectrics
Phase Transitions
Lead Vacancies
Oxygen Vacancies
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Molecular dynamics simulations were performed on a frst-principles-based effective Hamiltonian for Pb(Sc1/2Nb1/2)O3 (PSN) with nearest neighbor Pb-O divacancy pairs. Simulations were performed for PSN with ideal chemical order, chemical short-range order, and random chemical disorder. Divacancy concentration vs temperature, X[Pb-O] vs T, phase diagrams were calculated, and they are shown to be topologically equivalent to the previously calculated hydrostatic pressure vs temperature diagram. In PSN with ideal chemical order, the Burns temperature defnes an isotherm, which is analogous to the "Griffiths phase" in the magnetic dilution problem.
Fil: Burton, B.. National Institute Of Standards And Technology; Estados Unidos
Fil: Cockayne, E.. National Institute Of Standards And Technology; Estados Unidos
Fil: Tinte, Silvia Noemi. 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: Waghmare, U.. J. Nehru Theoretical Sciences Unit; India
description Molecular dynamics simulations were performed on a frst-principles-based effective Hamiltonian for Pb(Sc1/2Nb1/2)O3 (PSN) with nearest neighbor Pb-O divacancy pairs. Simulations were performed for PSN with ideal chemical order, chemical short-range order, and random chemical disorder. Divacancy concentration vs temperature, X[Pb-O] vs T, phase diagrams were calculated, and they are shown to be topologically equivalent to the previously calculated hydrostatic pressure vs temperature diagram. In PSN with ideal chemical order, the Burns temperature defnes an isotherm, which is analogous to the "Griffiths phase" in the magnetic dilution problem.
publishDate 2008
dc.date.none.fl_str_mv 2008-12
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/11336/18568
Burton, B.; Cockayne, E.; Tinte, Silvia Noemi; Waghmare, U.; Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3; American Physical Society; Physical Review B: Condensed Matter And Materials Physics; 77; 14; 12-2008; 1-8; 144114
1098-0121
url http://hdl.handle.net/11336/18568
identifier_str_mv Burton, B.; Cockayne, E.; Tinte, Silvia Noemi; Waghmare, U.; Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3; American Physical Society; Physical Review B: Condensed Matter And Materials Physics; 77; 14; 12-2008; 1-8; 144114
1098-0121
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.77.144114
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.77.144114
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
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score 12.982451

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