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:
-
- North Carolina State Univ., Raleigh, NC (United States)
- National Institute of Standards and Technology, Gaithersburg, MD (United States)
- 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}
}
Web of Science
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
Crystallography under External Electric Field
journal, April 2013
- Gorfman, Semen; Schmidt, Oleg; Tsirelson, Vladimir
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 639, Issue 11
Direct Detection of Electric-Field-Induced Microscopic Structural Changes in LiNb by Modulation X-Ray Diffraction
journal, April 1978
- Fujimoto, Isao
- Physical Review Letters, Vol. 40, Issue 14
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
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
Electric-field-driven monoclinic-to-rhombohedral transformation in Na Bi TiO
journal, October 2012
- Rao, Badari Narayana; Ranjan, Rajeev
- Physical Review B, Vol. 86, Issue 13
Ferroelectric-ferroelectric phase coexistence in Na Bi TiO
journal, February 2013
- Rao, Badari Narayana; Fitch, Andy N.; Ranjan, Rajeev
- Physical Review B, Vol. 87, Issue 6
Response of intergrown microstructure to an electric field and its consequences in the lead-free piezoelectric bismuth sodium titanate
journal, March 2012
- Liu, Yun; Norén, Lasse; Studer, Andrew J.
- Journal of Solid State Chemistry, Vol. 187
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
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
Deaging and Asymmetric Energy Landscapes in Electrically Biased Ferroelectrics
journal, April 2012
- Tutuncu, Goknur; Damjanovic, Dragan; Chen, Jun
- Physical Review Letters, Vol. 108, Issue 17
Creation and Destruction of Morphotropic Phase Boundaries through Electrical Poling: A Case Study of Lead-Free Piezoelectrics
journal, September 2012
- Ma, Cheng; Guo, Hanzheng; Beckman, Scott P.
- Physical Review Letters, Vol. 109, Issue 10
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
The chain structure of BaTiO3 and KNbO3
journal, October 1968
- Comes, R.; Lambert, M.; Guinier, A.
- Solid State Communications, Vol. 6, Issue 10
Structural changes underlying the diffuse dielectric response in
journal, March 2009
- Levin, Igor; Krayzman, Victor; Woicik, Joseph C.
- Physical Review B, Vol. 79, Issue 10
Incoherent Bi off-centering in Bi Ti O O and Bi Ru O O : Insulator versus metal
journal, August 2011
- Shoemaker, Daniel P.; Seshadri, Ram; Tachibana, Makoto
- Physical Review B, Vol. 84, Issue 6
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
Local structure in perovskite : Reverse Monte Carlo refinements from multiple measurement techniques
journal, January 2014
- Levin, Igor; Krayzman, Victor; Woicik, Joseph C.
- Physical Review B, Vol. 89, Issue 2
Local structure in relaxors from neutron pair distribution function analysis
journal, February 2009
- Laulhé, C.; Hippert, F.; Bellissent, R.
- Physical Review B, Vol. 79, Issue 6
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
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
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
Local Structure of Displacively Disordered Pyrochlore Dielectrics
journal, February 2007
- Krayzman, Victor; Levin, Igor; Woicik, Joseph C.
- Chemistry of Materials, Vol. 19, Issue 4
Deformation induced bond orientational order in metallic glasses
journal, December 1995
- Egami, T.; Dmowski, W.; Kosmetatos, P.
- Journal of Non-Crystalline Solids, Vol. 192-193
Nano- and Mesoscale Structure of Na$_{1 \over 2}$Bi$_{1 \over 2}$TiO3: A TEM Perspective
journal, May 2012
- Levin, Igor; Reaney, Ian M.
- Advanced Functional Materials, Vol. 22, Issue 16
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
High-pressure x-ray scattering of oxides with a nanoscale local structure: Application to
journal, July 2003
- Kreisel, J.; Bouvier, P.; Dkhil, B.
- Physical Review B, Vol. 68, Issue 1
Local structure of the lead-free relaxor ferroelectric
journal, May 2005
- Shuvaeva, V. A.; Zekria, D.; Glazer, A. M.
- Physical Review B, Vol. 71, Issue 17
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
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
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
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
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions
journal, March 2013
- Juhás, P.; Davis, T.; Farrow, C. L.
- Journal of Applied Crystallography, Vol. 46, Issue 2
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
Bond-orientational anisotropy in metallic glasses observed by x-ray diffraction
journal, February 1987
- Suzuki, Y.; Haimovich, J.; Egami, T.
- Physical Review B, Vol. 35, Issue 5
Crystallography under External Electric Field
text, January 2013
- Gorfman, Semen; Schmidt, Oleg; Tsirelson, Vladimir
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
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
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
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
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
Mechanisms underpinning the ultrahigh piezoelectricity in Sm-doped 0.705Pb(Mg 1/3 Nb 2/3 )O 3 -0.295PbTiO 3 : Temperature-induced metastable local structure and field-induced polarization rotation
journal, August 2019
- Zhao, Changhao; Li, Fei; Zhang, Shujun
- Journal of Applied Physics, Vol. 126, Issue 7
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
Electric field and temperature dependence of the local structural disorder in the lead-free ferroelectric : An EXAFS study
journal, January 2016
- Rao, Badari Narayana; Olivi, Luca; Sathe, Vasant
- Physical Review B, Vol. 93, Issue 2
Field-induced polarization rotation and phase transitions in piezoceramics observed by in situ high-energy x-ray scattering
journal, June 2018
- Hou, Dong; Usher, Tedi-Marie; Fulanovic, Lovro
- Physical Review B, Vol. 97, Issue 21
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
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
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
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
Relaxor-ferroelectric transitions: Sodium bismuth titanate derivatives
journal, August 2018
- Paterson, Alisa R.; Nagata, Hajime; Tan, Xiaoli
- MRS Bulletin, Vol. 43, Issue 8
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