Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3(1x)PbTiO3

K. Datta, R. B. Neder, J. Chen, J. C. Neuefeind, and B. Mihailova
Phys. Rev. Lett. 119, 207604 – Published 16 November 2017
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Abstract

We reveal that concurrent events of inherent entropy boosting and increased synchronization between A- and B-site cation vibrations of an ABO3-type perovskite structure give rise to a larger piezoelectric response in a ferroelectric system at its morphotropic phase boundary (MPB). It is further evident that the superior piezoelectric properties of xBiNi0.5Zr0.5O3(1x)PbTiO3 in comparison to xBiNi0.5Ti0.5O3(1x)PbTiO3 are due to the absolute flattening of the local potentials for all ferroelectrically active cations with a higher spontaneous polarization at the MPB. These distinctive features are discovered from the analyses of neutron pair distribution functions and Raman scattering data at ambient conditions, which are particularly sensitive to mesoscopic-scale structural correlations. Altogether this uncovers more fundamental structure-property connections for ferroelectric systems exhibiting a MPB, and thereby has a critical impact in contriving efficient novel materials.

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  • Received 23 May 2017

DOI:https://doi.org/10.1103/PhysRevLett.119.207604

© 2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

K. Datta1,*, R. B. Neder2, J. Chen3, J. C. Neuefeind4, and B. Mihailova1,†

  • 1Department of Earth Sciences, University of Hamburg, Hamburg 20146, Germany
  • 2Department of Crystallography and Structure Physics, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstraße 3, Erlangen 91058, Germany
  • 3School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083, China
  • 4Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

  • *kaustuv.datta@uni-hamburg.de
  • boriana.mihailova@uni-hamburg.de

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Issue

Vol. 119, Iss. 20 — 17 November 2017

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