Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach

Detalhes bibliográficos
Autor(a) principal: Lázaro, Sérgio Ricardo de
Data de Publicação: 2007
Outros Autores: Lucena, Poty Rodrigues de, Sambrano, Júlio Ricardo, Pizani, Paulo Sérgio, Beltrán, Armando, Varela, José Arana, Longo, Elson
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://repositorio.ufba.br/ri/handle/ri/14496
Resumo: p. 1-9
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spelling Lázaro, Sérgio Ricardo deLucena, Poty Rodrigues deSambrano, Júlio RicardoPizani, Paulo SérgioBeltrán, ArmandoVarela, José AranaLongo, ElsonLázaro, Sérgio Ricardo deLucena, Poty Rodrigues deSambrano, Júlio RicardoPizani, Paulo SérgioBeltrán, ArmandoVarela, José AranaLongo, Elson2014-01-28T16:55:18Z2014-01-28T16:55:18Z20071098-0121http://repositorio.ufba.br/ri/handle/ri/14496v. 75, n. 14p. 1-9In this paper we report an experimental and theoretical study based on a periodic density functional investigation into selected compositions of Pb1−xCaxTiO3 (x=0.0, 0.25, 0.50, and 0.75). Based on our findings, we propose that the pseudocubic structure of these perovskites presents a long-range tendency for cubic symmetry, while the short-range displacements bring the solid solution to a tetragonal symmetry. The results are discussed in terms of x-ray diffraction, structural optimized parameters, Raman spectroscopy, band structure, density of states, Mulliken charge, and overlap population.Submitted by Suelen Reis (suziy.ellen@gmail.com) on 2014-01-28T16:55:18Z No. of bitstreams: 1 10.1103-PhysRevB.75.144111.pdf: 288961 bytes, checksum: 6123cd8d2af1715af9c7cf3c832064f4 (MD5)Made available in DSpace on 2014-01-28T16:55:18Z (GMT). No. of bitstreams: 1 10.1103-PhysRevB.75.144111.pdf: 288961 bytes, checksum: 6123cd8d2af1715af9c7cf3c832064f4 (MD5) Previous issue date: 2007http://dx.doi.org/10.1103/PhysRevB.75.144111reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAPb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approachPhysical Review Binfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleBrasilinfo:eu-repo/semantics/openAccessengORIGINAL10.1103-PhysRevB.75.144111.pdf10.1103-PhysRevB.75.144111.pdfapplication/pdf288961https://repositorio.ufba.br/bitstream/ri/14496/1/10.1103-PhysRevB.75.144111.pdf6123cd8d2af1715af9c7cf3c832064f4MD51LICENSElicense.txtlicense.txttext/plain1345https://repositorio.ufba.br/bitstream/ri/14496/2/license.txtff6eaa8b858ea317fded99f125f5fcd0MD52TEXT10.1103-PhysRevB.75.144111.pdf.txt10.1103-PhysRevB.75.144111.pdf.txtExtracted texttext/plain35855https://repositorio.ufba.br/bitstream/ri/14496/3/10.1103-PhysRevB.75.144111.pdf.txte6acafe716af9ff5e11c5ab69cb0a4d9MD53ri/144962022-08-08 13:18:25.43oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-08-08T16:18:25Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
dc.title.alternative.pt_BR.fl_str_mv Physical Review B
title Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
spellingShingle Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
Lázaro, Sérgio Ricardo de
title_short Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
title_full Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
title_fullStr Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
title_full_unstemmed Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
title_sort Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and experimental approach
author Lázaro, Sérgio Ricardo de
author_facet Lázaro, Sérgio Ricardo de
Lucena, Poty Rodrigues de
Sambrano, Júlio Ricardo
Pizani, Paulo Sérgio
Beltrán, Armando
Varela, José Arana
Longo, Elson
author_role author
author2 Lucena, Poty Rodrigues de
Sambrano, Júlio Ricardo
Pizani, Paulo Sérgio
Beltrán, Armando
Varela, José Arana
Longo, Elson
author2_role author
author
author
author
author
author
dc.contributor.author.fl_str_mv Lázaro, Sérgio Ricardo de
Lucena, Poty Rodrigues de
Sambrano, Júlio Ricardo
Pizani, Paulo Sérgio
Beltrán, Armando
Varela, José Arana
Longo, Elson
Lázaro, Sérgio Ricardo de
Lucena, Poty Rodrigues de
Sambrano, Júlio Ricardo
Pizani, Paulo Sérgio
Beltrán, Armando
Varela, José Arana
Longo, Elson
description p. 1-9
publishDate 2007
dc.date.issued.fl_str_mv 2007
dc.date.accessioned.fl_str_mv 2014-01-28T16:55:18Z
dc.date.available.fl_str_mv 2014-01-28T16:55:18Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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status_str publishedVersion
dc.identifier.uri.fl_str_mv http://repositorio.ufba.br/ri/handle/ri/14496
dc.identifier.issn.none.fl_str_mv 1098-0121
dc.identifier.number.pt_BR.fl_str_mv v. 75, n. 14
identifier_str_mv 1098-0121
v. 75, n. 14
url http://repositorio.ufba.br/ri/handle/ri/14496
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.country.fl_str_mv Brasil
dc.source.pt_BR.fl_str_mv http://dx.doi.org/10.1103/PhysRevB.75.144111
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