Competing order parameters in the Pb(Zr1xTix)O3 solid solution at high pressure

Guillaume Fraysse, Ali Al-Zein, Julien Haines, Jérôme Rouquette, Véronique Bornand, Philippe Papet, Christine Bogicevic, and Steve Hull
Phys. Rev. B 84, 144110 – Published 14 October 2011

Abstract

Perovskite-type ferroelectric Pb(Zr1xTix)O3 (x = 0.3; 0.4) compounds were investigated at high pressure by means of time-of-flight neutron powder and angle dispersive x-ray diffraction (NPD and XRD) with special emphasis on the interactions between the ferroelectric Γ4 and antiferrodistortive R4+ instabilities. A simple and fast way for probing at the long-range level the ferroelectric Γ4 instability in perovskite compounds is reported, which unlike Rietveld refinement neither requires numerous reflections to be collected nor a structural model to be chosen. This method, built upon the fact that the imaginary component of the structure factor Fhkl of general hkl reflections cancels itself in centrosymmetric perovskite structures, consists in the monitoring of the integrated intensities of these reflections directly on neutron powder diffraction profiles. Thanks to this powerful probe, the passage by a metrically cubic unit cell at high pressure, which appears to be a common feature of PZT ceramics, is shown unambiguously to originate from the competition between polar cation displacements and antiphase tilting of (Zr,Ti)O6 octahedra. Furthermore, based on the high-pressure behavior of the lead isotropic displacement parameter, significant static disorder is found to persist a few GPa beyond the critical pressure of the ferroelectric-paraelectric phase transition, corroborating recent findings reported for the two other cations (Zr, Ti), namely that this phase transition has an order-disorder component.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 18 February 2011

DOI:https://doi.org/10.1103/PhysRevB.84.144110

©2011 American Physical Society

Authors & Affiliations

Guillaume Fraysse1,*, Ali Al-Zein1,2,†, Julien Haines1,*, Jérôme Rouquette1, Véronique Bornand1, Philippe Papet1, Christine Bogicevic3, and Steve Hull4

  • 1Institut Charles Gerhardt Montpellier (ICGM), UMR 5253 CNRS-UM2-ENSCM-UM1, Équipe C2M, Université Montpellier II, Place Eugéne Bataillon 1504, 34095 Montpellier CEDEX 5, France
  • 2Laboratoire des Colloïdes, Verres et Nanomatériaux (LCVN), UMR CNRS 5587, Université Montpellier II, Place Eugène Bataillon, 34095 Montpellier CEDEX 5, France
  • 3Laboratoire Structures Propriétés et Modélisation des Solides (SPMS), UMR CNRS 8580, École Centrale Paris, Grande voie des vignes, 92295 Châtenay-Malabry CEDEX, France
  • 4ISIS Science Division, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, United Kingdom

  • *Authors to whom correspondence should be addressed: guillaume.fraysse@univ-montp2.fr and julien.haines@univ-montp2.fr
  • Present address: SPMS, École Centrale Paris, Grande voie des vignes, 92295 Châtenay-Malabry CEDEX, France.

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 84, Iss. 14 — 1 October 2011

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×