DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electric-field-induced structure and domain texture evolution in PbZrO3-based antiferroelectric by in-situ high-energy synchrotron X-ray diffraction

Abstract

Antiferroelectrics (AFEs) have a great potential for modern electronic devices by virtue of the large strain during the antiferroelectric-to-ferroelectric (AFE-FE) phase transition under external electric fields. Although the fascinating macroscopic properties of AFE materials have been extensively studied, it is still unclear how the underlying structure evolution engenders their defining properties. Here we employ an electric biasing in-situ high-energy synchrotron X-ray diffraction technique to reveal the phase, domain texture, and lattice evolution in a high performance PbZrO3-based AFE material. During the reversible AFE-FE transition triggered by electric fields, the evolution of the superstructure for AFE pseudo-tetragonal and FE rhombohedral phase is found to display strong dependence on the angle with respect to the field direction. In contrast to previous prediction, it is found that there is no obvious domain reorientation in the AFE phase, when the system is far away from the AFE-FE transitions. The electric-field-induced FE rhombohedral phase exhibits an unusual microscopic behavior, distinguished from the normal one, presenting small changes in domain texture and lattice strain with electric field, and leading to a small piezoelectric response. The longitudinal, transverse, and volume strains estimated from the XRD peak profiles are well consistent with the macroscopic strain measurements. It ismore » demonstrated that the large strain arises from the structural change associated with anisotropic lattice strain and highly preferential domain reorientation during the AFE-FE transitions. Finally, the AFE-FE switching sequence is constructed based on the present study, which provides a further understating of AFE materials.« less

Authors:
 [1]; ORCiD logo [1];  [1];  [1];  [2]; ORCiD logo [3];  [1]; ORCiD logo [1]
  1. Univ. of Science and Technology, Beijing (China)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Iowa State Univ., Ames, IA (United States). Dept. of Electrical and Computer Engineering
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China (NNSFC); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
OSTI Identifier:
1595710
Alternate Identifier(s):
OSTI ID: 1694079
Grant/Contract Number:  
AC02-06CH11357; 21825102; 21731001; 21590793; FRF-TP-18-001C2; DMR-17000014
Resource Type:
Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 184; Journal Issue: C; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; In-situ X-ray diffraction; antiferroelectric ceramic; phase transition; strain

Citation Formats

Liu, Hui, Fan, Longlong, Sun, Shengdong, Lin, Kun, Ren, Yang, Tan, Xiaoli, Xing, Xianran, and Chen, Jun. Electric-field-induced structure and domain texture evolution in PbZrO3-based antiferroelectric by in-situ high-energy synchrotron X-ray diffraction. United States: N. p., 2019. Web. doi:10.1016/j.actamat.2019.11.050.
Liu, Hui, Fan, Longlong, Sun, Shengdong, Lin, Kun, Ren, Yang, Tan, Xiaoli, Xing, Xianran, & Chen, Jun. Electric-field-induced structure and domain texture evolution in PbZrO3-based antiferroelectric by in-situ high-energy synchrotron X-ray diffraction. United States. https://doi.org/10.1016/j.actamat.2019.11.050
Liu, Hui, Fan, Longlong, Sun, Shengdong, Lin, Kun, Ren, Yang, Tan, Xiaoli, Xing, Xianran, and Chen, Jun. Tue . "Electric-field-induced structure and domain texture evolution in PbZrO3-based antiferroelectric by in-situ high-energy synchrotron X-ray diffraction". United States. https://doi.org/10.1016/j.actamat.2019.11.050. https://www.osti.gov/servlets/purl/1595710.
@article{osti_1595710,
title = {Electric-field-induced structure and domain texture evolution in PbZrO3-based antiferroelectric by in-situ high-energy synchrotron X-ray diffraction},
author = {Liu, Hui and Fan, Longlong and Sun, Shengdong and Lin, Kun and Ren, Yang and Tan, Xiaoli and Xing, Xianran and Chen, Jun},
abstractNote = {Antiferroelectrics (AFEs) have a great potential for modern electronic devices by virtue of the large strain during the antiferroelectric-to-ferroelectric (AFE-FE) phase transition under external electric fields. Although the fascinating macroscopic properties of AFE materials have been extensively studied, it is still unclear how the underlying structure evolution engenders their defining properties. Here we employ an electric biasing in-situ high-energy synchrotron X-ray diffraction technique to reveal the phase, domain texture, and lattice evolution in a high performance PbZrO3-based AFE material. During the reversible AFE-FE transition triggered by electric fields, the evolution of the superstructure for AFE pseudo-tetragonal and FE rhombohedral phase is found to display strong dependence on the angle with respect to the field direction. In contrast to previous prediction, it is found that there is no obvious domain reorientation in the AFE phase, when the system is far away from the AFE-FE transitions. The electric-field-induced FE rhombohedral phase exhibits an unusual microscopic behavior, distinguished from the normal one, presenting small changes in domain texture and lattice strain with electric field, and leading to a small piezoelectric response. The longitudinal, transverse, and volume strains estimated from the XRD peak profiles are well consistent with the macroscopic strain measurements. It is demonstrated that the large strain arises from the structural change associated with anisotropic lattice strain and highly preferential domain reorientation during the AFE-FE transitions. Finally, the AFE-FE switching sequence is constructed based on the present study, which provides a further understating of AFE materials.},
doi = {10.1016/j.actamat.2019.11.050},
journal = {Acta Materialia},
number = C,
volume = 184,
place = {United States},
year = {2019},
month = {11}
}

Journal Article:

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Giant Electrocaloric Effect in Thin-Film PbZr0.95Ti0.05O3
journal, March 2006


Designing lead-free antiferroelectrics for energy storage
journal, May 2017

  • Xu, Bin; Íñiguez, Jorge; Bellaiche, L.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15682

Perovskite lead-free dielectrics for energy storage applications
journal, May 2019


Above-Bandgap Photovoltages in Antiferroelectrics
journal, September 2016

  • Pérez-Tomás, Amador; Lira-Cantú, Monica; Catalan, Gustau
  • Advanced Materials, Vol. 28, Issue 43
  • DOI: 10.1002/adma.201603176

High-Strain Lead-free Antiferroelectric Electrostrictors
journal, August 2009

  • Zhang, Shan-Tao; Kounga, Alain B.; Jo, Wook
  • Advanced Materials, Vol. 21, Issue 46
  • DOI: 10.1002/adma.200901516

New Antiferroelectric Perovskite System with Ultrahigh Energy-Storage Performance at Low Electric Field
journal, January 2019


Theory of Antiferroelectric Crystals
journal, June 1951


Antiferroelectric Structure of Lead Zirconate
journal, September 1951


The origin of antiferroelectricity in PbZrO3
journal, July 2013

  • Tagantsev, A. K.; Vaideeswaran, K.; Vakhrushev, S. B.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3229

Atomic-Scale Imaging and Quantification of Electrical Polarisation in Incommensurate Antiferroelectric Lanthanum-Doped Lead Zirconate Titanate
journal, November 2011

  • MacLaren, Ian; Villaurrutia, Rafael; Schaffer, Bernhard
  • Advanced Functional Materials, Vol. 22, Issue 2
  • DOI: 10.1002/adfm.201101220

A comprehensive review on the progress of lead zirconate-based antiferroelectric materials
journal, June 2014


The Antiferroelectric ↔ Ferroelectric Phase Transition in Lead-Containing and Lead-Free Perovskite Ceramics
journal, November 2011


Phase transformations, anisotropic pyroelectric energy harvesting and electrocaloric properties of (Pb,La)(Zr,Sn,Ti)O 3 single crystals
journal, January 2017

  • Zhuo, Fangping; Li, Qiang; Gao, Jinghan
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 21
  • DOI: 10.1039/C7CP01762F

Impurity-induced incommensuration in antiferroelectric La-modified lead zirconate titanate
journal, March 1995


Electric field induced phase transition of antiferroelectric lead lanthanum zirconate titanate stannate ceramics
journal, August 1997

  • Park, Seung-Eek; Pan, Ming-Jen; Markowski, Kelley
  • Journal of Applied Physics, Vol. 82, Issue 4
  • DOI: 10.1063/1.365982

In situ x‐ray diffraction study of the antiferroelectric–ferroelectric phase transition in PLSnZT
journal, May 1996

  • Blue, C. T.; Hicks, J. C.; Park, S. ‐E.
  • Applied Physics Letters, Vol. 68, Issue 21
  • DOI: 10.1063/1.116362

Electric-field-induced AFE-FE transitions and associated strain/preferred orientation in antiferroelectric PLZST
journal, March 2016

  • Lu, Teng; Studer, Andrew J.; Noren, Lasse
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep23659

Can an Electric Field Induce an Antiferroelectric Phase Out of a Ferroelectric Phase?
journal, December 2010


Field-induced antiferroelectric to ferroelectric transitions in (Pb1–xLax)(Zr0.90Ti0.10)1–x/4O3 investigated by in situ X-ray diffraction
journal, December 2017


Role of Reversible Phase Transformation for Strong Piezoelectric Performance at the Morphotropic Phase Boundary
journal, January 2018


In-situ XRD study of actuation mechanisms in BiFeO3-K0.5Bi0.5TiO3-PbTiO3 ceramics
journal, April 2019


Origins of Electro-Mechanical Coupling in Polycrystalline Ferroelectrics During Subcoercive Electrical Loading: Origins of Electro-Mechanical Coupling in Polycrystalline Ferroelectrics
journal, January 2011


Interplay of strain mechanisms in morphotropic piezoceramics
journal, August 2015


Revealing the sequence of switching mechanisms in polycrystalline ferroelectric/ferroelastic materials
journal, September 2018


Susceptible Ferroelectric/Antiferroelectric Phase Transition near the Surface of Nb-Doped Lead Zirconate Stannate Titanate from Surface Processing
journal, June 2016

  • Lu, Teng; Studer, Andrew J.; Cortie, David
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 23
  • DOI: 10.1021/acsami.6b02868

The classification of tilted octahedra in perovskites
journal, November 1972

  • Glazer, A. M.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
  • DOI: 10.1107/S0567740872007976

Simple ways of determining perovskite structures
journal, November 1975


A Re-investigation of the Crystal Structure of the Perovskite PbZrO3 by X-ray and Neutron Diffraction
journal, February 1997

  • Corker, D. L.; Glazer, A. M.; Dec, J.
  • Acta Crystallographica Section B Structural Science, Vol. 53, Issue 1
  • DOI: 10.1107/S0108768196012414

Polarization response of crystals with structural and ferroelectric instabilities
journal, October 1993


Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics
journal, July 2016

  • Acosta, Matias; Schmitt, Ljubomira A.; Cazorla, Claudio
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep28742

Domain texture distributions in tetragonal lead zirconate titanate by x-ray and neutron diffraction
journal, February 2005

  • Jones, Jacob L.; Slamovich, Elliott B.; Bowman, Keith J.
  • Journal of Applied Physics, Vol. 97, Issue 3
  • DOI: 10.1063/1.1849821

The determination of a continuum mechanics equivalent elastic strain from the analysis of multiple diffraction peaks
journal, October 2004

  • Daymond, Mark R.
  • Journal of Applied Physics, Vol. 96, Issue 8
  • DOI: 10.1063/1.1794896

Interaction Dynamics Between Ferroelectric and Antiferroelectric Domains in a Pb Zr O 3 -Based Ceramic
journal, June 2019


Origin of the intermediate phase in lead zirconate, PbZrO 3
journal, May 2018

  • Liu, Hongbo
  • Journal of the American Ceramic Society, Vol. 101, Issue 11
  • DOI: 10.1111/jace.15786