Investigation on the structural properties in Er-doped PbTiO3 compounds: A correlation between experimental and theoretical results

dc.contributorUniversidade Federal da Paraíba (UFPB)
dc.contributorUniversidade Estadual Paulista (Unesp)
dc.contributorUniversidade Federal de São Carlos (UFSCar)
dc.date.accessioned2014-05-20T15:33:37Z
dc.date.available2014-05-20T15:33:37Z
dc.date.created2014-05-20T15:33:37Z
dc.date.issued2008-08-25
dc.identifierJournal of Alloys and Compounds. Lausanne: Elsevier B.V. Sa, v. 462, n. 1-2, p. 157-163, 2008.
dc.identifier0925-8388
dc.identifierhttp://hdl.handle.net/11449/42198
dc.identifier10.1016/j.jallcom.2007.07.107
dc.identifierWOS:000258076300037
dc.description.abstractThe aim of this work is to investigate the structural properties of the (Pb1-xErx)TiO3 (PET) powders, with x varying from 0.01 to 0.08, prepared by the polymeric precursor method. Combined X-ray diffraction, Raman spectroscopy and ab initio calculation reveal a diffuse phase-transition of a tetragonal to a cubic phase. The crystalline models built allowed to calculate electronic properties and to analyze the behavior of the doping element in the structure of the material, which are consistent with the experimental results that indicate the beginning of phase-transition from tetragonal to cubic. (C) 2007 Elsevier B.V. All rights reserved.
dc.languageeng
dc.publisherElsevier B.V. Sa
dc.relationJournal of Alloys and Compounds
dc.relation3.779
dc.relation1,020
dc.rightsAcesso restrito
dc.sourceWeb of Science
dc.subjectpolymeric precursors
dc.subjecterbium
dc.subjectlead titanate
dc.subjectab initio
dc.subjectDFT
dc.titleInvestigation on the structural properties in Er-doped PbTiO3 compounds: A correlation between experimental and theoretical results
dc.typeArtículos de revistas


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