The origin of photoluminescence in amorphous lead titanate
Autor(a) principal: | |
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Data de Publicação: | 2003 |
Outros Autores: | , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRN |
DOI: | 10.1023/a:1022837132220 |
Texto Completo: | https://repositorio.ufrn.br/handle/123456789/32304 |
Resumo: | We discuss the nature of visible photoluminescence at room temperature in amorphous lead titanate in the light of the results of recent experimental and theoretical calculations. Experimental results obtained by XANES and EXAFS revealed that amorphous lead titanate is composed of a Ti-O network having fivefold Ti coordination and NBO-type (non-bridging oxygen) defects. These defects can modify the electronic structure of amorphous compounds. Our calculation of the electronic structure involved the use of first-principle molecular calculations to simulate the variation of the electronic structure in the lead titanate crystalline phase, which is known to have a direct band gap, and we also made an in-depth examination of amorphous lead titanate. The results of our theoretical calculations of amorphous lead titanate indicate that the formation of fivefold coordination in the amorphous system may introduce delocalized electronic levels in the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital). A comparison of the experimental and theoretical results of amorphous compounds suggests the possibility of a radiative recombination (electron-hole pairs), which may be responsible for the emission of photoluminescence |
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Leite, Edson RobertoParis, Elaine CristinaPontes, F. M.Paskocimas, Carlos AlbertoSilva, Elson Longo daSensato, F.Pinheiro, Carlos DavidsonVarela, José A.Pizani, Paulo SérgioCampos, C. E. M.Lanciotti Júnior, Franchesco2021-04-23T13:50:00Z2021-04-23T13:50:00Z2003-03LEITE, E. R.; PARIS, E. C.; PONTES, F. M.; PASKOCIMAS, C. A.; LONGO, E.; SENSATO, F.; PINHEIRO, C. D.; VARELA, J. A.; PIZANI, P. S.; CAMPOS, C. E. M.. The origin of photoluminescence in amorphous lead titanate. Journal of Materials Science, [S.L.], v. 38, n. 6, p. 1175-1178, 2003. Disponível em: https://link.springer.com/article/10.1023/A:1022837132220. Acesso em: 21 mar. 2021. http://dx.doi.org/10.1023/a:1022837132220.0022-24611573-4803https://repositorio.ufrn.br/handle/123456789/3230410.1023/a:1022837132220SpringerAttribution 3.0 Brazilhttp://creativecommons.org/licenses/by/3.0/br/info:eu-repo/semantics/openAccessHighest occupied molecular orbitalLowest unoccupied molecular orbitalPhotoluminescenceThe origin of photoluminescence in amorphous lead titanateinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleWe discuss the nature of visible photoluminescence at room temperature in amorphous lead titanate in the light of the results of recent experimental and theoretical calculations. Experimental results obtained by XANES and EXAFS revealed that amorphous lead titanate is composed of a Ti-O network having fivefold Ti coordination and NBO-type (non-bridging oxygen) defects. These defects can modify the electronic structure of amorphous compounds. Our calculation of the electronic structure involved the use of first-principle molecular calculations to simulate the variation of the electronic structure in the lead titanate crystalline phase, which is known to have a direct band gap, and we also made an in-depth examination of amorphous lead titanate. The results of our theoretical calculations of amorphous lead titanate indicate that the formation of fivefold coordination in the amorphous system may introduce delocalized electronic levels in the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital). A comparison of the experimental and theoretical results of amorphous compounds suggests the possibility of a radiative recombination (electron-hole pairs), which may be responsible for the emission of photoluminescenceengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNORIGINALTheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdfTheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdfArtigoapplication/pdf115541https://repositorio.ufrn.br/bitstream/123456789/32304/1/TheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdfd7e7f09f7cc28b46f3049ec13927f7e7MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/32304/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/32304/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53TEXTTheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdf.txtTheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdf.txtExtracted texttext/plain16793https://repositorio.ufrn.br/bitstream/123456789/32304/4/TheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdf.txt87dff5b2d507a29f9da95168f1b108d1MD54THUMBNAILTheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdf.jpgTheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdf.jpgGenerated Thumbnailimage/jpeg1909https://repositorio.ufrn.br/bitstream/123456789/32304/5/TheOriginOfPhotoluminescence_PASKOCIMAS_2003.pdf.jpg49a5ca095a52d527047af6f1a46d1d0fMD55123456789/323042022-01-12 12:15:57.637oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2022-01-12T15:15:57Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false |
dc.title.pt_BR.fl_str_mv |
The origin of photoluminescence in amorphous lead titanate |
title |
The origin of photoluminescence in amorphous lead titanate |
spellingShingle |
The origin of photoluminescence in amorphous lead titanate Leite, Edson Roberto Highest occupied molecular orbital Lowest unoccupied molecular orbital Photoluminescence |
title_short |
The origin of photoluminescence in amorphous lead titanate |
title_full |
The origin of photoluminescence in amorphous lead titanate |
title_fullStr |
The origin of photoluminescence in amorphous lead titanate |
title_full_unstemmed |
The origin of photoluminescence in amorphous lead titanate |
title_sort |
The origin of photoluminescence in amorphous lead titanate |
author |
Leite, Edson Roberto |
author_facet |
Leite, Edson Roberto Paris, Elaine Cristina Pontes, F. M. Paskocimas, Carlos Alberto Silva, Elson Longo da Sensato, F. Pinheiro, Carlos Davidson Varela, José A. Pizani, Paulo Sérgio Campos, C. E. M. Lanciotti Júnior, Franchesco |
author_role |
author |
author2 |
Paris, Elaine Cristina Pontes, F. M. Paskocimas, Carlos Alberto Silva, Elson Longo da Sensato, F. Pinheiro, Carlos Davidson Varela, José A. Pizani, Paulo Sérgio Campos, C. E. M. Lanciotti Júnior, Franchesco |
author2_role |
author author author author author author author author author author |
dc.contributor.author.fl_str_mv |
Leite, Edson Roberto Paris, Elaine Cristina Pontes, F. M. Paskocimas, Carlos Alberto Silva, Elson Longo da Sensato, F. Pinheiro, Carlos Davidson Varela, José A. Pizani, Paulo Sérgio Campos, C. E. M. Lanciotti Júnior, Franchesco |
dc.subject.por.fl_str_mv |
Highest occupied molecular orbital Lowest unoccupied molecular orbital Photoluminescence |
topic |
Highest occupied molecular orbital Lowest unoccupied molecular orbital Photoluminescence |
description |
We discuss the nature of visible photoluminescence at room temperature in amorphous lead titanate in the light of the results of recent experimental and theoretical calculations. Experimental results obtained by XANES and EXAFS revealed that amorphous lead titanate is composed of a Ti-O network having fivefold Ti coordination and NBO-type (non-bridging oxygen) defects. These defects can modify the electronic structure of amorphous compounds. Our calculation of the electronic structure involved the use of first-principle molecular calculations to simulate the variation of the electronic structure in the lead titanate crystalline phase, which is known to have a direct band gap, and we also made an in-depth examination of amorphous lead titanate. The results of our theoretical calculations of amorphous lead titanate indicate that the formation of fivefold coordination in the amorphous system may introduce delocalized electronic levels in the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital). A comparison of the experimental and theoretical results of amorphous compounds suggests the possibility of a radiative recombination (electron-hole pairs), which may be responsible for the emission of photoluminescence |
publishDate |
2003 |
dc.date.issued.fl_str_mv |
2003-03 |
dc.date.accessioned.fl_str_mv |
2021-04-23T13:50:00Z |
dc.date.available.fl_str_mv |
2021-04-23T13:50:00Z |
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 |
LEITE, E. R.; PARIS, E. C.; PONTES, F. M.; PASKOCIMAS, C. A.; LONGO, E.; SENSATO, F.; PINHEIRO, C. D.; VARELA, J. A.; PIZANI, P. S.; CAMPOS, C. E. M.. The origin of photoluminescence in amorphous lead titanate. Journal of Materials Science, [S.L.], v. 38, n. 6, p. 1175-1178, 2003. Disponível em: https://link.springer.com/article/10.1023/A:1022837132220. Acesso em: 21 mar. 2021. http://dx.doi.org/10.1023/a:1022837132220. |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufrn.br/handle/123456789/32304 |
dc.identifier.issn.none.fl_str_mv |
0022-2461 1573-4803 |
dc.identifier.doi.none.fl_str_mv |
10.1023/a:1022837132220 |
identifier_str_mv |
LEITE, E. R.; PARIS, E. C.; PONTES, F. M.; PASKOCIMAS, C. A.; LONGO, E.; SENSATO, F.; PINHEIRO, C. D.; VARELA, J. A.; PIZANI, P. S.; CAMPOS, C. E. M.. The origin of photoluminescence in amorphous lead titanate. Journal of Materials Science, [S.L.], v. 38, n. 6, p. 1175-1178, 2003. Disponível em: https://link.springer.com/article/10.1023/A:1022837132220. Acesso em: 21 mar. 2021. http://dx.doi.org/10.1023/a:1022837132220. 0022-2461 1573-4803 10.1023/a:1022837132220 |
url |
https://repositorio.ufrn.br/handle/123456789/32304 |
dc.language.iso.fl_str_mv |
eng |
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eng |
dc.rights.driver.fl_str_mv |
Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ info:eu-repo/semantics/openAccess |
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Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ |
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openAccess |
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Springer |
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Springer |
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UFRN |
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UFRN |
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