skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of x BiNi 0.5 Zr 0.5 O 3 - ( 1 - x ) PbTiO 3

Abstract

We demonstrate that the morphotropic phase boundary of the lead-free ferroelectric system x BiNi 0.5 Zr 0.5 O 3 - ( 1 - x ) PbTiO 3 (NBT-xBT) can be uniquely distinguished by a reduced polarizationstate along with a non-uniform attening of the local potential function of A- and B-site cationsof the perovskite-type structure. This establishes a robust structure-property connections based onthe atomic-level structural correlations which elucidates the long-standing question: why the MPBof NBT-xBT does not excel as much as Pb-based materials do; and further help to develop strategyin designing ecient lead-free ferroelectric systems.

Authors:
 [1];  [2];  [3]; ORCiD logo [4];  [1]
  1. Univ. of Hamburg (Germany). Inst. for Theoretical Physics
  2. Univ. of Erlangen-Nuremberg (Germany)
  3. Univ. of Science and Technology Beijing (China)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1427697
Alternate Identifier(s):
OSTI ID: 1409138
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 119; Journal Issue: 20; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Datta, Kaustuv, Neder, Reinhard, Chen, J., Neuefeind, Joerg C., and Mihailova, B. Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3-(1-x)PbTiO3. United States: N. p., 2017. Web. doi:10.1103/PhysRevLett.119.207604.
Datta, Kaustuv, Neder, Reinhard, Chen, J., Neuefeind, Joerg C., & Mihailova, B. Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3-(1-x)PbTiO3. United States. https://doi.org/10.1103/PhysRevLett.119.207604
Datta, Kaustuv, Neder, Reinhard, Chen, J., Neuefeind, Joerg C., and Mihailova, B. Thu . "Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3-(1-x)PbTiO3". United States. https://doi.org/10.1103/PhysRevLett.119.207604. https://www.osti.gov/servlets/purl/1427697.
@article{osti_1427697,
title = {Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3-(1-x)PbTiO3},
author = {Datta, Kaustuv and Neder, Reinhard and Chen, J. and Neuefeind, Joerg C. and Mihailova, B.},
abstractNote = {We demonstrate that the morphotropic phase boundary of the lead-free ferroelectric system xBiNi0.5Zr0.5O3-(1-x)PbTiO3 (NBT-xBT) can be uniquely distinguished by a reduced polarizationstate along with a non-uniform attening of the local potential function of A- and B-site cationsof the perovskite-type structure. This establishes a robust structure-property connections based onthe atomic-level structural correlations which elucidates the long-standing question: why the MPBof NBT-xBT does not excel as much as Pb-based materials do; and further help to develop strategyin designing ecient lead-free ferroelectric systems.},
doi = {10.1103/PhysRevLett.119.207604},
url = {https://www.osti.gov/biblio/1427697}, journal = {Physical Review Letters},
issn = {0031-9007},
number = 20,
volume = 119,
place = {United States},
year = {2017},
month = {11}
}

Journal Article:

Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Origin of morphotropic phase boundaries in ferroelectrics
journal, January 2008


Local Lattice Dynamics and the Origin of the Relaxor Ferroelectric Behavior
journal, April 2008


Crystal Structure of Metastable Perovskite Bi(Mg 1/ 2 Ti 1/2 )O 3 :  Bi-Based Structural Analogue of Antiferroelectric PbZrO 3
journal, October 2006


Application of the reverse Monte Carlo method to crystalline materials
journal, September 2001


Polarization Rotation via a Monoclinic Phase in the Piezoelectric 92% PbZn 1 / 3 Nb 2 / 3 O 3 -8% PbTiO 3
journal, April 2001


Reverse Monte Carlo modelling
journal, November 2001


Bi(Ni 1/2 Zr 1/2 )O 3 -PbTiO 3 relaxor-ferroelectric films for piezoelectric energy harvesting and electrostatic storage
journal, June 2014


Large Piezoelectric Response and Polarization in Relaxor Ferroelectric PbTiO 3 -Bi(Ni 1/2 Zr 1/2 )O 3
journal, February 2013


Bifurcated Polarization Rotation in Bismuth-Based Piezoelectrics
journal, August 2012


Interplay between A -site and B -site driven instabilities in perovskites
journal, August 2005


Electronic and Structural Properties of BiZn 0.5 Ti 0.5 O 3
journal, September 2009


Relationship between local structure and phase transitions of a disordered solid solution
journal, October 2002


Thermal Expansion, Ferroelectric and Magnetic Properties in (1 − x )PbTiO 3x Bi(Ni 1/2 Ti 1/2 )O 3
journal, February 2010


Structural and dielectric properties of (1-x)Bi(Ni1/2Ti1/2)O3-xPbTiO3 ceramics with the morphotropic phase boundary composition
journal, September 2012


Contributions to the Piezoelectric Effect in Ferroelectric Single Crystals and Ceramics
journal, October 2005


Structure and property investigation of a Bi-based perovskite solid solution: (1−x)Bi(Ni1∕2Ti1∕2)O3–xPbTiO3
journal, August 2005


New High Temperature Morphotropic Phase Boundary Piezoelectrics Based on Bi(Me)O 3 –PbTiO 3 Ceramics
journal, October 2001


Transformation processes in relaxor ferroelectric PbSc 0.5 Ta 0.5 O 3 heavily doped with Nb and Sn
journal, February 2011


Local Structure of Ferroelectric Materials
journal, August 2007


Structural Heterogeneity and Diffuse Scattering in Morphotropic Lead Zirconate-Titanate Single Crystals
journal, August 2012


High piezoelectric performance in a new Bi-based perovskite of (1−x)Bi(Ni 1/2 Hf 1/2 )O 3 −xPbTiO 3
journal, December 2012


The missing boundary in the phase diagram of PbZr1−xTixO3
journal, October 2014


Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric
journal, April 2013


    Works referencing / citing this record:

    Optimization of multiferroic properties in BiFeO3–BaTiO3-based ceramics by tuning oxygen octahedral distortion
    journal, December 2019


    Multistep coupling of preexisting local ferroic distortions in PbTiO 3 above the Curie temperature
    journal, October 2018


    Large electromechanical response in ferroelectrics: Beyond the morphotropic phase boundary paradigm
    journal, September 2019