The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3

Autores
Burton, B. P.; Tinte, Silvia Noemi; Cockayne, E.; Waghmare, U.
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Molecular dynamics simulations were performed on a first-principles-based effective Hamiltonians for chemically short-range ordered Pb(Sc1/2Nb1/2) O3 with nearest neighbor [Pb O] divacancy pairs. The divacancy-concentration (X[Pb-O]) vs. temperature phase diagram was calculated, and it is topologically equivalent to the hydrostatic pressure (P) vs. temperature diagram: a ferroelectric ground-state phase at low X[Pb-O] (P); that transforms to a relaxor paraelectric phase at moderate X[Pb-O] (P); followed by a crossover to a normal paraelectric phase at high X[Pb-O](P).
Fil: Burton, B. P.. National Institute Of Standards And Technology;
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: Cockayne, E.. National Institute Of Standards And Technology;
Fil: Waghmare, U.. Jawaharlal Nehru Centre for Advanced Scientific Research; India
Materia
Relaxor Ferroelectrics
Lead Vacancies
Oxygen Vacancies
Phase Transitions
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:11336/17104
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/17104
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3Burton, B. P.Tinte, Silvia NoemiCockayne, E.Waghmare, U.Relaxor FerroelectricsLead VacanciesOxygen VacanciesPhase Transitionshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Molecular dynamics simulations were performed on a first-principles-based effective Hamiltonians for chemically short-range ordered Pb(Sc1/2Nb1/2) O3 with nearest neighbor [Pb O] divacancy pairs. The divacancy-concentration (X[Pb-O]) vs. temperature phase diagram was calculated, and it is topologically equivalent to the hydrostatic pressure (P) vs. temperature diagram: a ferroelectric ground-state phase at low X[Pb-O] (P); that transforms to a relaxor paraelectric phase at moderate X[Pb-O] (P); followed by a crossover to a normal paraelectric phase at high X[Pb-O](P).Fil: Burton, B. P.. National Institute Of Standards And Technology;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; ArgentinaFil: Cockayne, E.. National Institute Of Standards And Technology;Fil: Waghmare, U.. Jawaharlal Nehru Centre for Advanced Scientific Research; IndiaTaylor & Francis Ltd2009-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/17104Burton, B. P.; Tinte, Silvia Noemi; Cockayne, E.; Waghmare, U.; The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3; Taylor & Francis Ltd; Integrated Ferroelectrics (print); 101; 1; 1-2009; 37-431058-4587enginfo:eu-repo/semantics/altIdentifier/doi/10.1080/10584580802451439info:eu-repo/semantics/altIdentifier/url/http://www.tandfonline.com/doi/abs/10.1080/10584580802451439info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:37:36Zoai:ri.conicet.gov.ar:11336/17104instacron: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 11:37:37.158CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
title The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
spellingShingle The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
Burton, B. P.
Relaxor Ferroelectrics
Lead Vacancies
Oxygen Vacancies
Phase Transitions
title_short The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
title_full The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
title_fullStr The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
title_full_unstemmed The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
title_sort The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3
dc.creator.none.fl_str_mv Burton, B. P.
Tinte, Silvia Noemi
Cockayne, E.
Waghmare, U.
author Burton, B. P.
author_facet Burton, B. P.
Tinte, Silvia Noemi
Cockayne, E.
Waghmare, U.
author_role author
author2 Tinte, Silvia Noemi
Cockayne, E.
Waghmare, U.
author2_role author
author
author
dc.subject.none.fl_str_mv Relaxor Ferroelectrics
Lead Vacancies
Oxygen Vacancies
Phase Transitions
topic Relaxor Ferroelectrics
Lead Vacancies
Oxygen Vacancies
Phase Transitions
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 first-principles-based effective Hamiltonians for chemically short-range ordered Pb(Sc1/2Nb1/2) O3 with nearest neighbor [Pb O] divacancy pairs. The divacancy-concentration (X[Pb-O]) vs. temperature phase diagram was calculated, and it is topologically equivalent to the hydrostatic pressure (P) vs. temperature diagram: a ferroelectric ground-state phase at low X[Pb-O] (P); that transforms to a relaxor paraelectric phase at moderate X[Pb-O] (P); followed by a crossover to a normal paraelectric phase at high X[Pb-O](P).
Fil: Burton, B. P.. National Institute Of Standards And Technology;
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: Cockayne, E.. National Institute Of Standards And Technology;
Fil: Waghmare, U.. Jawaharlal Nehru Centre for Advanced Scientific Research; India
description Molecular dynamics simulations were performed on a first-principles-based effective Hamiltonians for chemically short-range ordered Pb(Sc1/2Nb1/2) O3 with nearest neighbor [Pb O] divacancy pairs. The divacancy-concentration (X[Pb-O]) vs. temperature phase diagram was calculated, and it is topologically equivalent to the hydrostatic pressure (P) vs. temperature diagram: a ferroelectric ground-state phase at low X[Pb-O] (P); that transforms to a relaxor paraelectric phase at moderate X[Pb-O] (P); followed by a crossover to a normal paraelectric phase at high X[Pb-O](P).
publishDate 2009
dc.date.none.fl_str_mv 2009-01
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/11336/17104
Burton, B. P.; Tinte, Silvia Noemi; Cockayne, E.; Waghmare, U.; The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3; Taylor & Francis Ltd; Integrated Ferroelectrics (print); 101; 1; 1-2009; 37-43
1058-4587
url http://hdl.handle.net/11336/17104
identifier_str_mv Burton, B. P.; Tinte, Silvia Noemi; Cockayne, E.; Waghmare, U.; The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2 Nb1/2)O3; Taylor & Francis Ltd; Integrated Ferroelectrics (print); 101; 1; 1-2009; 37-43
1058-4587
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1080/10584580802451439
info:eu-repo/semantics/altIdentifier/url/http://www.tandfonline.com/doi/abs/10.1080/10584580802451439
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 Taylor & Francis Ltd
publisher.none.fl_str_mv Taylor & Francis Ltd
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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