Deriving the magnitude of niobium off-center displacement in ferroelectric niobates from infrared spectroscopy

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dc.contributor.authorLanfredi, S. [UNESP]
dc.contributor.authorBrito, I. A. O. [UNESP]
dc.contributor.authorPolini, C. [UNESP]
dc.contributor.authorNobre, Marcos Augusto Lima [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T13:23:08Z
dc.date.available2014-05-20T13:23:08Z
dc.date.issued2012-05-01
dc.description.abstractA KSr2Nb5O15 nanopowder was synthesized by a chemical route based on a modified polyol method. The nanopowder exhibits the space group P4bm (ferroelectric) ascribed to the displacement of Nb from the central position of an [NbO6] octahedron, parallel to the c-axis (polarization axis). The magnitude of the niobium off-center, a dagger z, was determined by X-ray diffraction and mid-infrared spectroscopy (FTIR). Analysis of the infrared spectrum carried out using curve fitting based on Gaussian functions has revealed a very strong vibration at 413 cm(-1), ascribed to a bond of the Nb off-center with apical oxygen. A classical molecular theory was applied to derive the force constant of this bond from the vibrational frequency. Using the calculus of energies for the wavelength and the harmonic oscillator, we alternatively derived the a dagger z parameter.en
dc.description.affiliationUniv Estadual Paulista, Fac Ciencias & Tecnol, Presidente Prudente, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, Inst Biociencias Letras & Ciencias Exatas, Sao Jose do Rio Preto, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Fac Ciencias & Tecnol, Presidente Prudente, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Inst Biociencias Letras & Ciencias Exatas, Sao Jose do Rio Preto, SP, Brazil
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipIdCNPq: 308924//2009-6
dc.description.sponsorshipIdCNPq: 472773/2009-7
dc.description.sponsorshipIdFAPESP: 2001/13421-7
dc.description.sponsorshipIdFAPESP: 2002/05997-9
dc.description.sponsorshipIdFAPESP: 2007/03510-9
dc.format.extent254-260
dc.identifierhttp://dx.doi.org/10.1007/s10812-012-9592-4
dc.identifier.citationJournal of Applied Spectroscopy. New York: Springer, v. 79, n. 2, p. 254-260, 2012.
dc.identifier.doi10.1007/s10812-012-9592-4
dc.identifier.issn0021-9037
dc.identifier.lattes7201928600704530
dc.identifier.orcid0000-0003-4843-3975
dc.identifier.urihttp://hdl.handle.net/11449/6933
dc.identifier.wosWOS:000305271600014
dc.language.isoeng
dc.publisherSpringer
dc.relation.ispartofJournal of Applied Spectroscopy
dc.relation.ispartofjcr0.611
dc.relation.ispartofsjr0,179
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectFerroelectric niobateen
dc.subjectMid-infrared spectroscopyen
dc.subjectForce constanten
dc.subjectNiobium off-centeren
dc.titleDeriving the magnitude of niobium off-center displacement in ferroelectric niobates from infrared spectroscopyen
dc.typeArtigo
dcterms.licensehttp://www.springer.com/open+access/authors+rights?SGWID=0-176704-12-683201-0
dcterms.rightsHolderSpringer
unesp.author.lattes7201928600704530
unesp.author.orcid0000-0003-4843-3975[4]
unesp.campusUniversidade Estadual Paulista (Unesp), Faculdade de Ciências e Tecnologia, Presidente Prudentept

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