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

Title: Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

Abstract

In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO3 and Na½Bi½TiO3, and dielectric SrTiO3. For Na½Bi½TiO3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO3 and SrTiO3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.

Authors:
 [1];  [2];  [3];  [1]
  1. North Carolina State Univ., Raleigh, NC (United States)
  2. National Institute of Standards and Technology, Gaithersburg, MD (United States)
  3. UNSW Australia, Sydney (Australia)
Publication Date:
Research Org.:
North Carolina State University, Raleigh, NC (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1240263
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ferroelectrics and multiferroics; structure of solids and liquids

Citation Formats

Usher, Tedi -Marie, Levin, Igor, Daniels, John E., and Jones, Jacob L. Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics. United States: N. p., 2015. Web. doi:10.1038/srep14678.
Usher, Tedi -Marie, Levin, Igor, Daniels, John E., & Jones, Jacob L. Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics. United States. https://doi.org/10.1038/srep14678
Usher, Tedi -Marie, Levin, Igor, Daniels, John E., and Jones, Jacob L. Thu . "Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics". United States. https://doi.org/10.1038/srep14678. https://www.osti.gov/servlets/purl/1240263.
@article{osti_1240263,
title = {Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics},
author = {Usher, Tedi -Marie and Levin, Igor and Daniels, John E. and Jones, Jacob L.},
abstractNote = {In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO3 and Na½Bi½TiO3, and dielectric SrTiO3. For Na½Bi½TiO3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO3 and SrTiO3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.},
doi = {10.1038/srep14678},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Thu Oct 01 00:00:00 EDT 2015},
month = {Thu Oct 01 00:00:00 EDT 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 58 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

X-ray diffraction by a crystal in a permanent external electric field: general considerations
journal, June 2005

  • Gorfman, Semen V.; Tsirelson, Vladimir G.; Pietsch, Ullrich
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 61, Issue 4
  • DOI: 10.1107/S0108767305010044

Crystallography under External Electric Field
journal, April 2013

  • Gorfman, Semen; Schmidt, Oleg; Tsirelson, Vladimir
  • Zeitschrift für anorganische und allgemeine Chemie, Vol. 639, Issue 11
  • DOI: 10.1002/zaac.201200497

Measurement and analysis of field-induced crystallographic texture using curved position-sensitive diffraction detectors
journal, February 2014

  • Simons, Hugh; Daniels, John E.; Studer, Andrew J.
  • Journal of Electroceramics, Vol. 32, Issue 4
  • DOI: 10.1007/s10832-014-9890-8

Evolving morphotropic phase boundary in lead-free (Bi1/2Na1/2)TiO3–BaTiO3 piezoceramics
journal, January 2011

  • Jo, Wook; Daniels, John E.; Jones, Jacob L.
  • Journal of Applied Physics, Vol. 109, Issue 1
  • DOI: 10.1063/1.3530737

Electric-field-driven monoclinic-to-rhombohedral transformation in Na 1 / 2 Bi 1 / 2 TiO 3
journal, October 2012


Ferroelectric-ferroelectric phase coexistence in Na 1 / 2 Bi 1 / 2 TiO 3
journal, February 2013


Response of intergrown microstructure to an electric field and its consequences in the lead-free piezoelectric bismuth sodium titanate
journal, March 2012


Field-induced phase transition in Bi 1/2 Na 1/2 TiO 3 -based lead-free piezoelectric ceramics
journal, October 2010

  • Hinterstein, Manuel; Knapp, Michael; Hölzel, Markus
  • Journal of Applied Crystallography, Vol. 43, Issue 6
  • DOI: 10.1107/S0021889810038264

An in situ diffraction study of domain wall motion contributions to the frequency dispersion of the piezoelectric coefficient in lead zirconate titanate
journal, January 2013

  • Seshadri, Shruti B.; Prewitt, Anderson D.; Studer, Andrew J.
  • Applied Physics Letters, Vol. 102, Issue 4
  • DOI: 10.1063/1.4789903

Deaging and Asymmetric Energy Landscapes in Electrically Biased Ferroelectrics
journal, April 2012


A New Phase Boundary in (Bi 1/2 Na 1/2 )TiO 3 −BaTiO 3 Revealed via a Novel Method of Electron Diffraction Analysis
journal, May 2013

  • Ma, Cheng; Guo, Hanzheng; Tan, Xiaoli
  • Advanced Functional Materials, Vol. 23, Issue 42
  • DOI: 10.1002/adfm.201300640

The chain structure of BaTiO3 and KNbO3
journal, October 1968


Structural changes underlying the diffuse dielectric response in AgNbO 3
journal, March 2009


Incoherent Bi off-centering in Bi 2 Ti 2 O 6 O and Bi 2 Ru 2 O 6 O : Insulator versus metal
journal, August 2011


Local-structure origins of the sustained Curie temperature in (Ba,Ca)TiO 3 ferroelectrics
journal, April 2013

  • Levin, Igor; Krayzman, Victor; Woicik, Joseph C.
  • Applied Physics Letters, Vol. 102, Issue 16
  • DOI: 10.1063/1.4802996

Local structure in perovskite ( Ba , Sr ) TiO 3 : Reverse Monte Carlo refinements from multiple measurement techniques
journal, January 2014


Local structure in BaTi 1 x Zr x O 3 relaxors from neutron pair distribution function analysis
journal, February 2009


Displacive Ordering Transitions in Perovskite-Like AgNb 1/2 Ta 1/2 O 3
journal, September 2010

  • Levin, I.; Woicik, J. C.; Llobet, A.
  • Chemistry of Materials, Vol. 22, Issue 17
  • DOI: 10.1021/cm101263p

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

  • Keeble, Dean S.; Barney, Emma R.; Keen, David A.
  • Advanced Functional Materials, Vol. 23, Issue 2
  • DOI: 10.1002/adfm.201201564

Local structure underlying anomalous tetragonal distortions in BiFeO 3 -PbTiO 3 ferroelectrics
journal, June 2014

  • Levin, I.; Krayzman, V.; Tucker, M. G.
  • Applied Physics Letters, Vol. 104, Issue 24
  • DOI: 10.1063/1.4884946

Local Structure of Displacively Disordered Pyrochlore Dielectrics
journal, February 2007

  • Krayzman, Victor; Levin, Igor; Woicik, Joseph C.
  • Chemistry of Materials, Vol. 19, Issue 4
  • DOI: 10.1021/cm062429g

Deformation induced bond orientational order in metallic glasses
journal, December 1995


Nano- and Mesoscale Structure of Na$_{1 \over 2}$Bi$_{1 \over 2}$TiO3: A TEM Perspective
journal, May 2012


Observation of structural anisotropy in metallic glasses induced by mechanical deformation
journal, September 2006

  • Dmowski, Wojtek; Egami, Takeshi
  • Journal of Materials Research, Vol. 22, Issue 2
  • DOI: 10.1557/jmr.2007.0043

High-pressure x-ray scattering of oxides with a nanoscale local structure: Application to Na 1 / 2 Bi 1 / 2 TiO 3
journal, July 2003


Local structure of the lead-free relaxor ferroelectric ( K x Na 1 x ) 0.5 Bi 0.5 Ti O 3
journal, May 2005


Structure and properties of La-modified Na 0.5 Bi 0.5 TiO 3 at ambient and elevated temperatures
journal, September 2012

  • Aksel, Elena; Forrester, Jennifer S.; Foronda, Humberto M.
  • Journal of Applied Physics, Vol. 112, Issue 5
  • DOI: 10.1063/1.4751357

Applications of an amorphous silicon-based area detector for high-resolution, high-sensitivity and fast time-resolved pair distribution function measurements
journal, May 2007

  • Chupas, Peter J.; Chapman, Karena W.; Lee, Peter L.
  • Journal of Applied Crystallography, Vol. 40, Issue 3
  • DOI: 10.1107/S0021889807007856

Time-Resolved Characterization of Ferroelectrics Using High-Energy X-Ray Diffraction
journal, August 2009

  • Daniels, J.; Pramanick, A.; Jones, J.
  • IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, Vol. 56, Issue 8
  • DOI: 10.1109/TUFFC.2009.1218

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

  • Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
  • High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
  • DOI: 10.1080/08957959608201408

PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions
journal, March 2013


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

  • Keeble, Dean S.; Barney, Emma R.; Keen, David A.
  • Advanced Functional Materials, Vol. 23, Issue 2
  • DOI: 10.1002/adfm.201201564

Bond-orientational anisotropy in metallic glasses observed by x-ray diffraction
journal, February 1987


Crystallography under External Electric Field
text, January 2013

  • Gorfman, Semen; Schmidt, Oleg; Tsirelson, Vladimir
  • Deutsches Elektronen-Synchrotron, DESY, Hamburg
  • DOI: 10.3204/desy-2014-02181

Works referencing / citing this record:

An intermediate metastable ferroelectric state induced giant functional responses in Bi 0.5 Na 0.5 TiO 3 ceramics
journal, January 2019

  • Zhou, Changrong; Zhang, Yongsheng; Wang, Yufan
  • Journal of Materials Chemistry C, Vol. 7, Issue 27
  • DOI: 10.1039/c9tc00780f

Investigation of periodically driven systems by x-ray absorption spectroscopy using asynchronous data collection mode
journal, April 2018

  • Singh, H.; Donetsky, D.; Liu, J.
  • Review of Scientific Instruments, Vol. 89, Issue 4
  • DOI: 10.1063/1.5000679

Time filtering of event based neutron scattering data: A pathway to study the dynamic structural responses of materials
journal, September 2018

  • Fancher, C. M.; Hoffmann, C.; Sedov, V.
  • Review of Scientific Instruments, Vol. 89, Issue 9
  • DOI: 10.1063/1.5031798

Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials
journal, September 2018

  • Usher, Tedi-Marie; Forrester, Jennifer S.; McDonnell, Marshall
  • Review of Scientific Instruments, Vol. 89, Issue 9
  • DOI: 10.1063/1.5037609

Oxygen octahedral tilt ordering in (Na 1/2 Bi 1/2 )TiO 3 ferroelectric thin films
journal, January 2020

  • Pramanick, A.; Paterson, A. R.; Denis, L.
  • Applied Physics Letters, Vol. 116, Issue 2
  • DOI: 10.1063/1.5127212

Electric field and temperature dependence of the local structural disorder in the lead-free ferroelectric N a 0.5 B i 0.5 Ti O 3 : An EXAFS study
journal, January 2016


A simple correction for the parallax effect in X-ray pair distribution function measurements
journal, September 2019

  • Marlton, Frederick; Ivashko, Oleh; Zimmerman, Martin v.
  • Journal of Applied Crystallography, Vol. 52, Issue 5
  • DOI: 10.1107/s1600576719011580

Precise implications for real-space pair distribution function modeling of effects intrinsic to modern time-of-flight neutron diffractometers
journal, June 2018

  • Olds, Daniel; Saunders, Claire N.; Peters, Megan
  • Acta Crystallographica Section A Foundations and Advances, Vol. 74, Issue 4
  • DOI: 10.1107/s2053273318003224

Current Understanding of Structure–Processing–Property Relationships in BaTiO 3 –Bi( M )O 3 Dielectrics
journal, September 2016

  • Beuerlein, Michaela A.; Kumar, Nitish; Usher, Tedi‐Marie
  • Journal of the American Ceramic Society, Vol. 99, Issue 9
  • DOI: 10.1111/jace.14472

Defect mechanisms in BaTiO 3 ‐Bi M O 3 ceramics
journal, January 2018

  • Kumar, Nitish; Patterson, Eric A.; Frömling, Till
  • Journal of the American Ceramic Society, Vol. 101, Issue 6
  • DOI: 10.1111/jace.15403

Relaxor-ferroelectric transitions: Sodium bismuth titanate derivatives
journal, August 2018

  • Paterson, Alisa R.; Nagata, Hajime; Tan, Xiaoli
  • MRS Bulletin, Vol. 43, Issue 8
  • DOI: 10.1557/mrs.2018.156

A simple correction for the parallax effect in X-ray pair distribution function measurements
text, January 2019

  • Marlton, Frederick; Ivashko, Oleh; Von Zimmermann, Martin
  • Deutsches Elektronen-Synchrotron, DESY, Hamburg
  • DOI: 10.3204/pubdb-2019-03307