Average and local atomic-scale structure in BaZrxTi1-xO 3 (x = 0.10, 0.20, 0.40) ceramics by high-energy x-ray diffraction and Raman spectroscopy

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

  • Vincenzo Buscaglia
  • Saurabh Tripathi
  • Valeri Petkov
  • Monica Dapiaggi
  • Marco Deluca
  • Andreja Gajović

Detail(s)

Original languageEnglish
Article number065901
Journal / PublicationJournal of Physics Condensed Matter
Volume26
Issue number6
Publication statusPublished - 12 Feb 2014
Externally publishedYes

Abstract

High-resolution x-ray diffraction (XRD), Raman spectroscopy and total scattering XRD coupled to atomic pair distribution function (PDF) analysis studies of the atomic-scale structure of archetypal BaZrxTi1-xO3 (x = 0.10, 0.20, 0.40) ceramics are presented over a wide temperature range (100-450 K). For x = 0.1 and 0.2 the results reveal, well above the Curie temperature, the presence of Ti-rich polar clusters which are precursors of a long-range ferroelectric order observed below TC. Polar nanoregions (PNRs) and relaxor behaviour are observed over the whole temperature range for x = 0.4. Irrespective of ceramic composition, the polar clusters are due to locally correlated off-centre displacement of Zr/Ti cations compatible with local rhombohedral symmetry. Formation of Zr-rich clusters is indicated by Raman spectroscopy for all compositions. Considering the isovalent substitution of Ti with Zr in BaZrxTi1-xO3, the mechanism of formation and growth of the PNRs is not due to charge ordering and random fields, but rather to a reduction of the local strain promoted by the large difference in ion size between Zr4+ and Ti4+. As a result, non-polar or weakly polar Zr-rich clusters and polar Ti-rich clusters are randomly distributed in a paraelectric lattice and the long-range ferroelectric order is disrupted with increasing Zr concentration. © 2014 IOP Publishing Ltd.

Research Area(s)

  • BaTiO3, highenergy, Raman spectroscopy, relaxors

Bibliographic Note

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Citation Format(s)

Average and local atomic-scale structure in BaZrxTi1-xO 3 (x = 0.10, 0.20, 0.40) ceramics by high-energy x-ray diffraction and Raman spectroscopy. / Buscaglia, Vincenzo; Tripathi, Saurabh; Petkov, Valeri; Dapiaggi, Monica; Deluca, Marco; Gajović, Andreja; Ren, Yang.

In: Journal of Physics Condensed Matter, Vol. 26, No. 6, 065901, 12.02.2014.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review