Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character.
Autor(a) principal: | |
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Data de Publicação: | 2015 |
Outros Autores: | , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFOP |
Texto Completo: | http://www.repositorio.ufop.br/handle/123456789/4466 https://doi.org/10.1016/j.actamat.2014.10.059 |
Resumo: | This paper reports on a multi-edge X-ray absorption analysis to elucidate how the substitution of Ti4+ by Zr4+ ions acts on the local order structure and on the O 2p hybridization states of Ba0.9Ca0.1Ti1_xZrxO3 (BCZT) lead-free ceramic compounds, inducing a ferroelectric evolution from a normal to a relaxor character. Ti, Ba, Zr and O X-ray absorption spectra were measured to probe the local and electronic structure of BCZT samples that exhibit a normal (x < 0.18) or relaxor (xP 0.18) ferroelectric character. X-ray absorption near edge structure results show that the local symmetry and distortion of TiO6, ZrO6 and BaO12 units are not significantly affected by the Ti/Zr ratio, the ferroelectric character or the long-range order symmetry. The assignment of the ab initio density of states associated with the O K-edge enabled a correlation between the decrease in the hybridization between O 2p and Ti 3d states and the ferroelectric character evolution of the BCZT samples. The hybridization states in the ferroelectric relaxor samples exhibit a more symmetric spatial configuration, as occurs with long-range symmetry. |
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Mastelaro, Valmor RobertoFavarim, Higor RogerioMesquita, AlexandreMichalowicz, A.Moscovici, J.Eiras, J. A.2015-02-23T17:57:52Z2015-02-23T17:57:52Z2015MASTELARO, V. R. et al. Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: Correlation with a normal or relaxor ferroelectric character. Acta Materialia, Oxford, v. 84, p. 164-171, 2015. Disponível em: <http://www.sciencedirect.com/science/article/pii/S1359645414008234>. Acesso em: 20 fev. 2015.1359-6454http://www.repositorio.ufop.br/handle/123456789/4466https://doi.org/10.1016/j.actamat.2014.10.059This paper reports on a multi-edge X-ray absorption analysis to elucidate how the substitution of Ti4+ by Zr4+ ions acts on the local order structure and on the O 2p hybridization states of Ba0.9Ca0.1Ti1_xZrxO3 (BCZT) lead-free ceramic compounds, inducing a ferroelectric evolution from a normal to a relaxor character. Ti, Ba, Zr and O X-ray absorption spectra were measured to probe the local and electronic structure of BCZT samples that exhibit a normal (x < 0.18) or relaxor (xP 0.18) ferroelectric character. X-ray absorption near edge structure results show that the local symmetry and distortion of TiO6, ZrO6 and BaO12 units are not significantly affected by the Ti/Zr ratio, the ferroelectric character or the long-range order symmetry. The assignment of the ab initio density of states associated with the O K-edge enabled a correlation between the decrease in the hybridization between O 2p and Ti 3d states and the ferroelectric character evolution of the BCZT samples. The hybridization states in the ferroelectric relaxor samples exhibit a more symmetric spatial configuration, as occurs with long-range symmetry.FerroeletricsRelaxorsLead freeHybridizationLocal structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character.info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleO periódico Acta Materialia concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3565400526993.info:eu-repo/semantics/openAccessengreponame:Repositório Institucional da UFOPinstname:Universidade Federal de Ouro Preto (UFOP)instacron:UFOPLICENSElicense.txtlicense.txttext/plain; charset=utf-82636http://www.repositorio.ufop.br/bitstream/123456789/4466/2/license.txtc2ffdd99e58acf69202dff00d361f23aMD52ORIGINALARTIGO_LocalStructureHybridization.pdfARTIGO_LocalStructureHybridization.pdfapplication/pdf1012869http://www.repositorio.ufop.br/bitstream/123456789/4466/1/ARTIGO_LocalStructureHybridization.pdff4a4195fc1618556f4f5c3ddc1002903MD51123456789/44662019-06-18 13:34:09.946oai:localhost: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Repositório InstitucionalPUBhttp://www.repositorio.ufop.br/oai/requestrepositorio@ufop.edu.bropendoar:32332019-06-18T17:34:09Repositório Institucional da UFOP - Universidade Federal de Ouro Preto (UFOP)false |
dc.title.pt_BR.fl_str_mv |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. |
title |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. |
spellingShingle |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. Mastelaro, Valmor Roberto Ferroeletrics Relaxors Lead free Hybridization |
title_short |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. |
title_full |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. |
title_fullStr |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. |
title_full_unstemmed |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. |
title_sort |
Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character. |
author |
Mastelaro, Valmor Roberto |
author_facet |
Mastelaro, Valmor Roberto Favarim, Higor Rogerio Mesquita, Alexandre Michalowicz, A. Moscovici, J. Eiras, J. A. |
author_role |
author |
author2 |
Favarim, Higor Rogerio Mesquita, Alexandre Michalowicz, A. Moscovici, J. Eiras, J. A. |
author2_role |
author author author author author |
dc.contributor.author.fl_str_mv |
Mastelaro, Valmor Roberto Favarim, Higor Rogerio Mesquita, Alexandre Michalowicz, A. Moscovici, J. Eiras, J. A. |
dc.subject.por.fl_str_mv |
Ferroeletrics Relaxors Lead free Hybridization |
topic |
Ferroeletrics Relaxors Lead free Hybridization |
description |
This paper reports on a multi-edge X-ray absorption analysis to elucidate how the substitution of Ti4+ by Zr4+ ions acts on the local order structure and on the O 2p hybridization states of Ba0.9Ca0.1Ti1_xZrxO3 (BCZT) lead-free ceramic compounds, inducing a ferroelectric evolution from a normal to a relaxor character. Ti, Ba, Zr and O X-ray absorption spectra were measured to probe the local and electronic structure of BCZT samples that exhibit a normal (x < 0.18) or relaxor (xP 0.18) ferroelectric character. X-ray absorption near edge structure results show that the local symmetry and distortion of TiO6, ZrO6 and BaO12 units are not significantly affected by the Ti/Zr ratio, the ferroelectric character or the long-range order symmetry. The assignment of the ab initio density of states associated with the O K-edge enabled a correlation between the decrease in the hybridization between O 2p and Ti 3d states and the ferroelectric character evolution of the BCZT samples. The hybridization states in the ferroelectric relaxor samples exhibit a more symmetric spatial configuration, as occurs with long-range symmetry. |
publishDate |
2015 |
dc.date.accessioned.fl_str_mv |
2015-02-23T17:57:52Z |
dc.date.available.fl_str_mv |
2015-02-23T17:57:52Z |
dc.date.issued.fl_str_mv |
2015 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.citation.fl_str_mv |
MASTELARO, V. R. et al. Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: Correlation with a normal or relaxor ferroelectric character. Acta Materialia, Oxford, v. 84, p. 164-171, 2015. Disponível em: <http://www.sciencedirect.com/science/article/pii/S1359645414008234>. Acesso em: 20 fev. 2015. |
dc.identifier.uri.fl_str_mv |
http://www.repositorio.ufop.br/handle/123456789/4466 |
dc.identifier.issn.none.fl_str_mv |
1359-6454 |
dc.identifier.doi.none.fl_str_mv |
https://doi.org/10.1016/j.actamat.2014.10.059 |
identifier_str_mv |
MASTELARO, V. R. et al. Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: Correlation with a normal or relaxor ferroelectric character. Acta Materialia, Oxford, v. 84, p. 164-171, 2015. Disponível em: <http://www.sciencedirect.com/science/article/pii/S1359645414008234>. Acesso em: 20 fev. 2015. 1359-6454 |
url |
http://www.repositorio.ufop.br/handle/123456789/4466 https://doi.org/10.1016/j.actamat.2014.10.059 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
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info:eu-repo/semantics/openAccess |
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openAccess |
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reponame:Repositório Institucional da UFOP instname:Universidade Federal de Ouro Preto (UFOP) instacron:UFOP |
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UFOP |
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Repositório Institucional da UFOP |
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