The origin of photoluminescence in amorphous lead titanate

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

The origin of photoluminescence in amorphous lead titanate

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dc.contributor.author	Leite, Edson Roberto
dc.contributor.author	Paris, Elaine Cristina
dc.contributor.author	Pontes, F. M.
dc.contributor.author	Paskocimas, Carlos Alberto
dc.contributor.author	Silva, Elson Longo da
dc.contributor.author	Sensato, F.
dc.contributor.author	Pinheiro, Carlos Davidson
dc.contributor.author	Varela, José A.
dc.contributor.author	Pizani, Paulo Sérgio
dc.contributor.author	Campos, C. E. M.
dc.contributor.author	Lanciotti Júnior, Franchesco
dc.date.accessioned	2021-04-23T13:50:00Z
dc.date.available	2021-04-23T13:50:00Z
dc.date.issued	2003-03
dc.description.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	pt_BR
dc.identifier.citation	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.	pt_BR
dc.identifier.doi	10.1023/a:1022837132220
dc.identifier.issn	0022-2461
dc.identifier.issn	1573-4803
dc.identifier.uri	https://repositorio.ufrn.br/handle/123456789/32304
dc.language	en	pt_BR
dc.publisher	Springer	pt_BR
dc.rights	Attribution 3.0 Brazil	*
dc.rights.uri	http://creativecommons.org/licenses/by/3.0/br/	*
dc.subject	Highest occupied molecular orbital	pt_BR
dc.subject	Lowest unoccupied molecular orbital	pt_BR
dc.subject	Photoluminescence	pt_BR
dc.title	The origin of photoluminescence in amorphous lead titanate	pt_BR
dc.type	article	pt_BR