Local structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character.

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorMastelaro, Valmor Roberto-
Autor(es): dc.creatorFavarim, Higor Rogerio-
Autor(es): dc.creatorMesquita, A.-
Autor(es): dc.creatorMichalowicz, A.-
Autor(es): dc.creatorMoscovici, J.-
Autor(es): dc.creatorEiras, J. A.-
Data de aceite: dc.date.accessioned2019-11-06T13:32:15Z-
Data de disponibilização: dc.date.available2019-11-06T13:32:15Z-
Data de envio: dc.date.issued2015-02-23-
Data de envio: dc.date.issued2015-02-23-
Data de envio: dc.date.issued2015-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/4466-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/557517-
Descrição: dc.descriptionThis 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.-
Idioma: dc.languageen-
Direitos: dc.rightsO Periódico Acta Materialia concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3565400526993.-
Palavras-chave: dc.subjectFerroeletrics-
Palavras-chave: dc.subjectRelaxors-
Palavras-chave: dc.subjectLead free-
Palavras-chave: dc.subjectHybridization-
Título: dc.titleLocal structure and hybridization states in Ba0.9Ca0.1Ti1 xZrxO3 ceramic compounds: correlation with a normal or relaxor ferroelectric character.-
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