Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites

Autores
Garcés, Diana Andrea; Setevich Martinez, Cristian F.; Caneiro, Alberto; Cuello, Gabriel Julio; Mogni, Liliana Verónica
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A-site cationic ordered LaBaCo2O6-d and disordered La0.5Ba0.5CoO3-d, perovskite phases were obtained by Solid State Reaction. Their structural properties were studied at room temperature and 400 °C combining powder diffraction techniques, XRD and NPD with an independent determination of the oxygen content of the samples by thermogravimetry. La0.5Ba0.5CoO3-d exhibits cubic symmetry with cations randomly distributed, whereas the LaBaCo2O6-d shows tetragonal symmetry with the La+3 and Ba+2 ions distributed in alternating layers. The diffraction data were analyzed using the Rietveld method and testing different structural and microstructural models. Bond Valence and Fourier methods were used to determine bond distances and neutron/electron density maps. The LaBaCo2O6-d presents higher concentration of oxygen vacancies than La0.5Ba0.5CoO3-d, because the O is weakly bonded to LaO layers. The anisotropic atomic displacement and the neutron density distribution suggest a two-dimensional O-migration path for LaBaCo2O6-d and a three-dimensional for La0.5Ba0.5CoO3-d.The mechanism of electrical conductivity is by electron-hole with high mobilities (La0.5Ba0.5CoO3−d= 2.49 cm2V−1s−1and LaBaCo2O6−δ= 1.48 cm2V−1s−1 at room temperature) and low activation energy (26−=0.019 and 0.50.53−=0.030 ). It has been also found that the higher electronic and ionic conductivities in La0.5Ba0.5CoO3-d compared to those in LaBaCo2O6-d, is due to the higher dimensionality of transport and to higher overlapping between Co-3d and O-2p orbital.
Fil: Garcés, Diana Andrea. Comision Nacional de Energia Atomica. Fundación Jose A. Balseiro; Argentina
Fil: Setevich Martinez, Cristian F.. Universidad Nacional del Sur; Argentina
Fil: Caneiro, Alberto. Comision Nacional de Energia Atomica. Fundación Jose A. Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Cuello, Gabriel Julio. Institut Laue–Langevin; Francia
Fil: Mogni, Liliana Verónica. Comisión Nacional de Energía Atómica. Gerencia de Area de Aplicaciones de la Tecnología Nuclear. Gerencia de Investigación Aplicada; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Materia
perovskites
neutron diffraction
electrical conductivity
disorder
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:11336/27739
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/27739
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskitesGarcés, Diana AndreaSetevich Martinez, Cristian F.Caneiro, AlbertoCuello, Gabriel JulioMogni, Liliana Verónicaperovskitesneutron diffractionelectrical conductivitydisorderhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1A-site cationic ordered LaBaCo2O6-d and disordered La0.5Ba0.5CoO3-d, perovskite phases were obtained by Solid State Reaction. Their structural properties were studied at room temperature and 400 °C combining powder diffraction techniques, XRD and NPD with an independent determination of the oxygen content of the samples by thermogravimetry. La0.5Ba0.5CoO3-d exhibits cubic symmetry with cations randomly distributed, whereas the LaBaCo2O6-d shows tetragonal symmetry with the La+3 and Ba+2 ions distributed in alternating layers. The diffraction data were analyzed using the Rietveld method and testing different structural and microstructural models. Bond Valence and Fourier methods were used to determine bond distances and neutron/electron density maps. The LaBaCo2O6-d presents higher concentration of oxygen vacancies than La0.5Ba0.5CoO3-d, because the O is weakly bonded to LaO layers. The anisotropic atomic displacement and the neutron density distribution suggest a two-dimensional O-migration path for LaBaCo2O6-d and a three-dimensional for La0.5Ba0.5CoO3-d.The mechanism of electrical conductivity is by electron-hole with high mobilities (La0.5Ba0.5CoO3−d= 2.49 cm2V−1s−1and LaBaCo2O6−δ= 1.48 cm2V−1s−1 at room temperature) and low activation energy (26−=0.019 and 0.50.53−=0.030 ). It has been also found that the higher electronic and ionic conductivities in La0.5Ba0.5CoO3-d compared to those in LaBaCo2O6-d, is due to the higher dimensionality of transport and to higher overlapping between Co-3d and O-2p orbital.Fil: Garcés, Diana Andrea. Comision Nacional de Energia Atomica. Fundación Jose A. Balseiro; ArgentinaFil: Setevich Martinez, Cristian F.. Universidad Nacional del Sur; ArgentinaFil: Caneiro, Alberto. Comision Nacional de Energia Atomica. Fundación Jose A. Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Cuello, Gabriel Julio. Institut Laue–Langevin; FranciaFil: Mogni, Liliana Verónica. Comisión Nacional de Energía Atómica. Gerencia de Area de Aplicaciones de la Tecnología Nuclear. Gerencia de Investigación Aplicada; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaWiley Blackwell Publishing, Inc2014-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/27739Garcés, Diana Andrea; Setevich Martinez, Cristian F.; Caneiro, Alberto; Cuello, Gabriel Julio; Mogni, Liliana Verónica; Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 47; 2014; 1-2014; 325-3340021-8898CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1107/S1600576713031233info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600576713031233info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:04:36Zoai:ri.conicet.gov.ar:11336/27739instacron: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:34982025-09-03 10:04:36.853CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
title Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
spellingShingle Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
Garcés, Diana Andrea
perovskites
neutron diffraction
electrical conductivity
disorder
title_short Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
title_full Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
title_fullStr Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
title_full_unstemmed Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
title_sort Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites
dc.creator.none.fl_str_mv Garcés, Diana Andrea
Setevich Martinez, Cristian F.
Caneiro, Alberto
Cuello, Gabriel Julio
Mogni, Liliana Verónica
author Garcés, Diana Andrea
author_facet Garcés, Diana Andrea
Setevich Martinez, Cristian F.
Caneiro, Alberto
Cuello, Gabriel Julio
Mogni, Liliana Verónica
author_role author
author2 Setevich Martinez, Cristian F.
Caneiro, Alberto
Cuello, Gabriel Julio
Mogni, Liliana Verónica
author2_role author
author
author
author
dc.subject.none.fl_str_mv perovskites
neutron diffraction
electrical conductivity
disorder
topic perovskites
neutron diffraction
electrical conductivity
disorder
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A-site cationic ordered LaBaCo2O6-d and disordered La0.5Ba0.5CoO3-d, perovskite phases were obtained by Solid State Reaction. Their structural properties were studied at room temperature and 400 °C combining powder diffraction techniques, XRD and NPD with an independent determination of the oxygen content of the samples by thermogravimetry. La0.5Ba0.5CoO3-d exhibits cubic symmetry with cations randomly distributed, whereas the LaBaCo2O6-d shows tetragonal symmetry with the La+3 and Ba+2 ions distributed in alternating layers. The diffraction data were analyzed using the Rietveld method and testing different structural and microstructural models. Bond Valence and Fourier methods were used to determine bond distances and neutron/electron density maps. The LaBaCo2O6-d presents higher concentration of oxygen vacancies than La0.5Ba0.5CoO3-d, because the O is weakly bonded to LaO layers. The anisotropic atomic displacement and the neutron density distribution suggest a two-dimensional O-migration path for LaBaCo2O6-d and a three-dimensional for La0.5Ba0.5CoO3-d.The mechanism of electrical conductivity is by electron-hole with high mobilities (La0.5Ba0.5CoO3−d= 2.49 cm2V−1s−1and LaBaCo2O6−δ= 1.48 cm2V−1s−1 at room temperature) and low activation energy (26−=0.019 and 0.50.53−=0.030 ). It has been also found that the higher electronic and ionic conductivities in La0.5Ba0.5CoO3-d compared to those in LaBaCo2O6-d, is due to the higher dimensionality of transport and to higher overlapping between Co-3d and O-2p orbital.
Fil: Garcés, Diana Andrea. Comision Nacional de Energia Atomica. Fundación Jose A. Balseiro; Argentina
Fil: Setevich Martinez, Cristian F.. Universidad Nacional del Sur; Argentina
Fil: Caneiro, Alberto. Comision Nacional de Energia Atomica. Fundación Jose A. Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Cuello, Gabriel Julio. Institut Laue–Langevin; Francia
Fil: Mogni, Liliana Verónica. Comisión Nacional de Energía Atómica. Gerencia de Area de Aplicaciones de la Tecnología Nuclear. Gerencia de Investigación Aplicada; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
description A-site cationic ordered LaBaCo2O6-d and disordered La0.5Ba0.5CoO3-d, perovskite phases were obtained by Solid State Reaction. Their structural properties were studied at room temperature and 400 °C combining powder diffraction techniques, XRD and NPD with an independent determination of the oxygen content of the samples by thermogravimetry. La0.5Ba0.5CoO3-d exhibits cubic symmetry with cations randomly distributed, whereas the LaBaCo2O6-d shows tetragonal symmetry with the La+3 and Ba+2 ions distributed in alternating layers. The diffraction data were analyzed using the Rietveld method and testing different structural and microstructural models. Bond Valence and Fourier methods were used to determine bond distances and neutron/electron density maps. The LaBaCo2O6-d presents higher concentration of oxygen vacancies than La0.5Ba0.5CoO3-d, because the O is weakly bonded to LaO layers. The anisotropic atomic displacement and the neutron density distribution suggest a two-dimensional O-migration path for LaBaCo2O6-d and a three-dimensional for La0.5Ba0.5CoO3-d.The mechanism of electrical conductivity is by electron-hole with high mobilities (La0.5Ba0.5CoO3−d= 2.49 cm2V−1s−1and LaBaCo2O6−δ= 1.48 cm2V−1s−1 at room temperature) and low activation energy (26−=0.019 and 0.50.53−=0.030 ). It has been also found that the higher electronic and ionic conductivities in La0.5Ba0.5CoO3-d compared to those in LaBaCo2O6-d, is due to the higher dimensionality of transport and to higher overlapping between Co-3d and O-2p orbital.
publishDate 2014
dc.date.none.fl_str_mv 2014-01
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/11336/27739
Garcés, Diana Andrea; Setevich Martinez, Cristian F.; Caneiro, Alberto; Cuello, Gabriel Julio; Mogni, Liliana Verónica; Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 47; 2014; 1-2014; 325-334
0021-8898
CONICET Digital
CONICET
url http://hdl.handle.net/11336/27739
identifier_str_mv Garcés, Diana Andrea; Setevich Martinez, Cristian F.; Caneiro, Alberto; Cuello, Gabriel Julio; Mogni, Liliana Verónica; Effect of cationic order-disorder on the transport properties of LaBaCo2O6-d and La0.5Ba0.5CoO3-d perovskites; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 47; 2014; 1-2014; 325-334
0021-8898
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1107/S1600576713031233
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600576713031233
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
application/pdf
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
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 13.13397

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