Charge distribution model in cubic perovskite-type compounds

A non-zero electric field gradient tensor, detected by probes that occupy sites with cubic point group symmetry, was observed in many ABO3 perovskite-type compounds. This breakdown of local cubic symmetry is commonly associated with the presence of oxygen vacancies around the probe. This effect in B...

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Autores: Alonso, Roberto Emilio, López García, Alberto Raúl
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2000
País:Argentina
Institución:Universidad Nacional de La Plata
Repositorio:SEDICI (UNLP)
Idioma:inglés
OAI Identifier:oai:sedici.unlp.edu.ar:10915/84887
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/84887
Access Level:acceso abierto
Palabra clave:Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
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spelling Charge distribution model in cubic perovskite-type compoundsAlonso, Roberto EmilioLópez García, Alberto RaúlCiencias ExactasFísicaDefectsElectric Field GardientFerroelectrics MaterialsPerovskitesPolarized Oxygen VacanciesA non-zero electric field gradient tensor, detected by probes that occupy sites with cubic point group symmetry, was observed in many ABO3 perovskite-type compounds. This breakdown of local cubic symmetry is commonly associated with the presence of oxygen vacancies around the probe. This effect in BaTi<SUB>x</SUB>Hf<SUB>1-x</SUB>O<SUB>3</SUB> with x = 0.7, 0.5, 0.3, 0.1, 0.05 and 0.01 is studied in this work. The cell parameters were obtained at laboratory temperature using XRD spectroscopy. The hyperfine parameters were measured at a <SUP>181</SUP>Ta probe in the B site using Perturbed Angular Correlations (PAC) spectroscopy as a function of both temperature and composition. As a common trend, a static asymmetric and distributed quadrupolar interaction, strongly dependent on composition has been observed. The results, together with those corresponding to 1 > x ≥ 0.75, are analyzed using the point-charge model in terms of polarized oxygen vacancies, different covalence of the Ti-O and Hf-O bonds with computational simulation for the lattice positions of cations and oxygen vacancies.Facultad de Ciencias Exactas2000info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf261-266http://sedici.unlp.edu.ar/handle/10915/84887enginfo:eu-repo/semantics/altIdentifier/issn/0932-0784info:eu-repo/semantics/altIdentifier/doi/10.1515/zna-2000-1-246info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2024-05-08T12:54:16Zoai:sedici.unlp.edu.ar:10915/84887Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292024-05-08 12:54:16.974SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Charge distribution model in cubic perovskite-type compounds
title Charge distribution model in cubic perovskite-type compounds
spellingShingle Charge distribution model in cubic perovskite-type compounds
Alonso, Roberto Emilio
Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
title_short Charge distribution model in cubic perovskite-type compounds
title_full Charge distribution model in cubic perovskite-type compounds
title_fullStr Charge distribution model in cubic perovskite-type compounds
title_full_unstemmed Charge distribution model in cubic perovskite-type compounds
title_sort Charge distribution model in cubic perovskite-type compounds
dc.creator.none.fl_str_mv Alonso, Roberto Emilio
López García, Alberto Raúl
author Alonso, Roberto Emilio
author_facet Alonso, Roberto Emilio
López García, Alberto Raúl
author_role author
author2 López García, Alberto Raúl
author2_role author
dc.subject.none.fl_str_mv Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
topic Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
description A non-zero electric field gradient tensor, detected by probes that occupy sites with cubic point group symmetry, was observed in many ABO3 perovskite-type compounds. This breakdown of local cubic symmetry is commonly associated with the presence of oxygen vacancies around the probe. This effect in BaTi<SUB>x</SUB>Hf<SUB>1-x</SUB>O<SUB>3</SUB> with x = 0.7, 0.5, 0.3, 0.1, 0.05 and 0.01 is studied in this work. The cell parameters were obtained at laboratory temperature using XRD spectroscopy. The hyperfine parameters were measured at a <SUP>181</SUP>Ta probe in the B site using Perturbed Angular Correlations (PAC) spectroscopy as a function of both temperature and composition. As a common trend, a static asymmetric and distributed quadrupolar interaction, strongly dependent on composition has been observed. The results, together with those corresponding to 1 > x ≥ 0.75, are analyzed using the point-charge model in terms of polarized oxygen vacancies, different covalence of the Ti-O and Hf-O bonds with computational simulation for the lattice positions of cations and oxygen vacancies.
publishDate 2000
dc.date.none.fl_str_mv 2000
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/84887
url http://sedici.unlp.edu.ar/handle/10915/84887
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0932-0784
info:eu-repo/semantics/altIdentifier/doi/10.1515/zna-2000-1-246
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
261-266
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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