Evidence for pressure-induced polarization rotation, octahedral tilting, and reentrant ferroelectric phase in tetragonal (Pb0.5Bi0.5)(Ti0.5Fe0.5)O3

Pragya Singh, Chandan Upadhyay, Zuzana Konôpková, Hanns-Peter Liermann, and Dhananjai Pandey
Phys. Rev. Materials 3, 094405 – Published 11 September 2019
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Abstract

Pressure-induced phase transition in the technologically important tetragonal phase of PbTiO3 has been quite controversial with two entirely different propositions: (1) morphotropic phase boundary-like structural transition with concomitant rotation of the ferroelectric polarization vector and (2) antiferrodistortive (AFD) phase transition followed by emergence of a reentrant ferroelectric phase. We have attempted to address these controversies by enhancing the AFD instability of PbTiO3 through 50% BiFeO3 substitution in a tetragonal composition of the (1x)PbTiO3xBiFeO3 solid solution system. Using a high resolution synchrotron x-ray diffraction study of the pressure-induced phase transition in this composition, we present here experimental evidence for the emergence of superlattice reflections at a moderate pressure pc12.15GPa due to an AFD transition leading to a monoclinic phase in the Cc space group, which permits the rotation of the ferroelectric polarization vector. We also present evidence for a reentrant ferroelectric phase above pc27GPa in which octahedral tilting provides an efficient mechanism for accommodating volume reduction. The implications of these findings in resolving the existing controversies in PbTiO3 and in providing insight for designing environmentally friendly Pb-free piezoelectric compositions are also discussed.

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  • Received 12 March 2019
  • Revised 30 May 2019

DOI:https://doi.org/10.1103/PhysRevMaterials.3.094405

©2019 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Pragya Singh1, Chandan Upadhyay1, Zuzana Konôpková2, Hanns-Peter Liermann2, and Dhananjai Pandey1,*

  • 1School of Materials Science and Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005, India
  • 2PETRA III, Deutsches Elektronen-Synchrotron (DESY), 22607 Hamburg, Germany

  • *Corresponding author: dp.mst1979@gmail.com

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Vol. 3, Iss. 9 — September 2019

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