Local structural behavior of PbZr0.5Ti0.5O3 during electric field application via in situ pair distribution function study

Zhao, Changhao; Hou, Dong; Chung, Ching-Chang; Yu, Yingying; Liu, Wenfeng; Li, Shengtao; Jones, Jacob L.

doi:10.1063/1.5010192

Title: Local structural behavior of PbZr_0.5Ti_0.5O₃ during electric field application via in situ pair distribution function study

Journal Article · Tue Nov 07 00:00:00 EST 2017 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5010192· OSTI ID:1761485

Zhao, Changhao ^[1];

^[2];

^[2]; Yu, Yingying ^[1]; Liu, Wenfeng ^[3]; Li, Shengtao ^[3]; Jones, Jacob L. ^[2]

Xi’an Jiaotong Univ., Shaanxi (China); North Carolina State Univ., Raleigh, NC (United States)
North Carolina State Univ., Raleigh, NC (United States)
Xi’an Jiaotong Univ., Shaanxi (China)

Here, the local structural behavior of PbZr_0.5Ti_0.5O3 (PZT 50/50) ceramics during application of an electric field was investigated using pair distribution function (PDF) analysis. In situ synchrotron total scattering was conducted, and the PDFs were calculated from the Fourier transform of the total scattering data. The PDF refinement of the zero-field data suggests a local-structure model with [001] Ti-displacement and negligible Zr-displacement. The directional PDFs at different field amplitudes indicate the bond-length distribution of the nearest Pb-B (B = Zr/Ti) pair changes significantly with the field. The radial distribution functions (RDFs) of a model for polarization rotation were calculated. The calculated and the experimental RDFs are consistent. This result suggests the changes in Pb-B bond-length distribution could be dominantly caused by polarization rotation. Peak fitting of the experimental RDFs was also conducted. The peak position trends with increasing field are mostly in agreement with the calculation result of the polarization rotation model. The area ratio of the peaks in the experimental RDFs also changed with field amplitude, indicating that Zr atoms have a detectable displacement driven by the electric field. Our study provides an experimental observation of the behaviors of PZT 50/50 under field at a local scale which supports the polarization rotation mechanism.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); China Scholarship Council (CSC); National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357; DMR-1409399

OSTI ID:: 1761485

Alternate ID(s):: OSTI ID: 1407837

Journal Information:: Journal of Applied Physics, Vol. 122, Issue 17; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: ENGLISH

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References (35)

Crystallographically engineered BaTiO3 single crystals for high-performance piezoelectrics Park, Seung-Eek; Wada, Satoshi; Cross, L. E. Journal of Applied Physics, Vol. 86, Issue 5 https://doi.org/10.1063/1.371120	journal	September 1999
Local structure in $BaTi O_{3} − BiSc O_{3}$ dipole glasses Levin, I.; Krayzman, V.; Woicik, J. C. Physical Review B, Vol. 93, Issue 10 https://doi.org/10.1103/PhysRevB.93.104106	journal	March 2016
Influence of lanthanum doping on the morphotropic phase boundary of lead zirconate titanate Hinterstein, Manuel; Schoenau, Kristin A.; Kling, Jens Journal of Applied Physics, Vol. 108, Issue 2 https://doi.org/10.1063/1.3437399	journal	July 2010
Modelling the structure of Zr-rich Pb(Zr _1−x Ti _x )O ₃ , x = 0.4 by a multiphase approach Bogdanov, Alexander; Mysovsky, Andrey; Pickard, Chris J. Physical Chemistry Chemical Physics, Vol. 18, Issue 40 https://doi.org/10.1039/C6CP04976A	journal	January 2016
Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics Fu, Huaxiang; Cohen, Ronald E. Nature, Vol. 403, Issue 6767 https://doi.org/10.1038/35002022	journal	January 2000
Comments on Origins of Enhanced Piezoelectric Properties in Ferroelectrics Damjanovic, D.; Damjanovic, Dragan; Damjanovic, Dragan IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, Vol. 56, Issue 8 https://doi.org/10.1109/TUFFC.2009.1222	journal	August 2009
EXPGUI , a graphical user interface for GSAS Toby, Brian H. Journal of Applied Crystallography, Vol. 34, Issue 2 https://doi.org/10.1107/S0021889801002242	journal	April 2001
Structural and electronic properties of PbTiO3, PbZrO3, and PbZr0.5Ti0.5O3: First-principles density-functional studies Rodriguez, J. A.; Etxeberria, A.; González, L. The Journal of Chemical Physics, Vol. 117, Issue 6 https://doi.org/10.1063/1.1490343	journal	August 2002
Structural Description of the Macroscopic Piezo- and Ferroelectric Properties of Lead Zirconate Titanate Hinterstein, M.; Rouquette, J.; Haines, J. Physical Review Letters, Vol. 107, Issue 7 https://doi.org/10.1103/PhysRevLett.107.077602	journal	August 2011
A monoclinic ferroelectric phase in the Pb(Zr1−xTix)O3 solid solution Noheda, B.; Cox, D. E.; Shirane, G. Applied Physics Letters, Vol. 74, Issue 14 https://doi.org/10.1063/1.123756	journal	April 1999
Structure of Pb(Zr, Ti)O[sub 3] near the morphotropic phase boundary Dmowski, W. The 11th williamsburg workshop on fundamental physics of ferroelectrics, AIP Conference Proceedings https://doi.org/10.1063/1.1399687	conference	January 2001
Crystal orientation dependence of piezoelectric properties of lead zirconate titanate near the morphotropic phase boundary Du, Xiao-hong; Zheng, Jiehui; Belegundu, Uma Applied Physics Letters, Vol. 72, Issue 19 https://doi.org/10.1063/1.121373	journal	May 1998
Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics Usher, Tedi-Marie; Levin, Igor; Daniels, John E. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep14678	journal	October 2015
Anhysteretic field-induced rhombhohedral to orthorhombic transformation in 〈110〉-oriented 0.7Pb(Mg1/3Nb2/3)O3–0.3PbTiO3 crystals Viehland, D.; Li, J. F. Journal of Applied Physics, Vol. 92, Issue 12 https://doi.org/10.1063/1.1524016	journal	December 2002
In Situ X-Ray Diffraction Study of Electric-Field-Induced Domain Switching and Phase Transition in PZT-5H: In Situ X-Ray Experiments Liu, Ming; Hsia, K. Jimmy; Sardela, Mauro R. Journal of the American Ceramic Society, Vol. 88, Issue 1 https://doi.org/10.1111/j.1551-2916.2004.00048.x	journal	December 2004
Relationship between local structure and phase transitions of a disordered solid solution Grinberg, Ilya; Cooper, Valentino R.; Rappe, Andrew M. Nature, Vol. 419, Issue 6910 https://doi.org/10.1038/nature01115	journal	October 2002
Ultrahigh strain and piezoelectric behavior in relaxor based ferroelectric single crystals Park, Seung-Eek; Shrout, Thomas R. Journal of Applied Physics, Vol. 82, Issue 4 https://doi.org/10.1063/1.365983	journal	August 1997
Local atomic structure of PZT and PLZT studied by pulsed neutron scattering Teslic, S.; Egami, T.; Viehland, D. Journal of Physics and Chemistry of Solids, Vol. 57, Issue 10 https://doi.org/10.1016/0022-3697(96)00024-8	journal	October 1996
Properties of piezoelectric ceramics in the solid-solution series lead titanate-lead zirconate-lead oxide: Tin oxide and lead titanate-lead hafnate Jaffe, B.; Roth, R. S.; Marzullo, S. Journal of Research of the National Bureau of Standards, Vol. 55, Issue 5 https://doi.org/10.6028/jres.055.028	journal	November 1955
Temperature-induced local and average structural changes in BaTiO ₃ − x Bi(Zn _1/2 Ti _1/2 )O ₃ solid solutions: The origin of high temperature dielectric permittivity Hou, Dong; Usher, Tedi-Marie; Zhou, Hanhan Journal of Applied Physics, Vol. 122, Issue 6 https://doi.org/10.1063/1.4989393	journal	August 2017
Electric field dependent local structure of ${(K_{x} N a_{1 - x})}_{0.5} B i_{0.5} Ti O_{3}$ Goetzee-Barral, A. J.; Usher, T. -M.; Stevenson, T. J. Physical Review B, Vol. 96, Issue 1 https://doi.org/10.1103/PhysRevB.96.014118	journal	July 2017
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Farrow, C. L.; Juhas, P.; Liu, J. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335219	journal	July 2007
Dielectric and Piezoelectric Properties of 0.91Pb(Zn _1/3 Nb _2/3 )O ₃ -0.09PbTiO ₃ Single Crystals Kuwata, Jun; Uchino, Kenji; Nomura, Shoichiro Japanese Journal of Applied Physics, Vol. 21, Issue Part 1, No. 9 https://doi.org/10.1143/JJAP.21.1298	journal	September 1982
Local Structure of PZT Cooper, Valentino R. FUNDAMENTAL PHYSICS OF FERROELECTRICS 2002, AIP Conference Proceedings https://doi.org/10.1063/1.1499549	conference	January 2002
Tetragonal-to-monoclinic phase transition in a ferroelectric perovskite: The structure of ${PbZr}_{0.52} {Ti}_{0.48} O_{3}$ Noheda, B.; Gonzalo, J. A.; Cross, L. E. Physical Review B, Vol. 61, Issue 13 https://doi.org/10.1103/PhysRevB.61.8687	journal	April 2000
Contributions to the Piezoelectric Effect in Ferroelectric Single Crystals and Ceramics Damjanovic, Dragan Journal of the American Ceramic Society, Vol. 88, Issue 10 https://doi.org/10.1111/j.1551-2916.2005.00671.x	journal	October 2005
Underneath the Bragg Peaks Egami, T.; Billinge, S. J. L. Materials Today, Vol. 6, Issue 6 https://doi.org/10.1016/S1369-7021(03)00635-7	journal	June 2003
Local structure study of the off-center displacement of Ti and Zr across the morphotropic phase boundary of $Pb {Zr}_{1 - x} {Ti}_{x} O_{3}$ $(x = 0.40, 0.47, 0.49, 0.55)$ Cao, D.; Jeong, I. -K.; Heffner, R. H. Physical Review B, Vol. 70, Issue 22 https://doi.org/10.1103/PhysRevB.70.224102	journal	December 2004
Origin of the High Piezoelectric Response in ${PbZr}_{1 - x} {Ti}_{x} O_{3}$ Guo, R.; Cross, L. E.; Park, S-E. Physical Review Letters, Vol. 84, Issue 23 https://doi.org/10.1103/PhysRevLett.84.5423	journal	June 2000
Crystal Orientation Dependence of Piezoelectric Properties in Lead Zirconate Titanate: Theoretical Expectation for Thin Films Du, Xiao-hong; Belegundu, Uma; Uchino, Kenji Japanese Journal of Applied Physics, Vol. 36, Issue Part 1, No. 9A https://doi.org/10.1143/JJAP.36.5580	journal	September 1997
Electric-field induced polarization paths in ${P b (Z r}_{1 - x} {Ti}_{x}) O_{3}$ alloys Bellaiche, L.; García, Alberto; Vanderbilt, David Physical Review B, Vol. 64, Issue 6 https://doi.org/10.1103/PhysRevB.64.060103	journal	July 2001
Correlation between electric-field-induced phase transition and piezoelectricity in lead zirconate titanate films Kovacova, V.; Vaxelaire, N.; Le Rhun, G. Physical Review B, Vol. 90, Issue 14 https://doi.org/10.1103/PhysRevB.90.140101	journal	October 2014
Lead-free piezoelectric ceramics vs. PZT? Zhang, Shujun; Xia, Ru; Shrout, Thomas R. Journal of Electroceramics, Vol. 19, Issue 4 https://doi.org/10.1007/s10832-007-9056-z	journal	March 2007
Applications of an amorphous silicon-based area detector for high-resolution, high-sensitivity and fast time-resolved pair distribution function measurements Chupas, Peter J.; Chapman, Karena W.; Lee, Peter L. Journal of Applied Crystallography, Vol. 40, Issue 3 https://doi.org/10.1107/S0021889807007856	journal	May 2007
The missing boundary in the phase diagram of PbZr1−xTixO3 Zhang, N.; Yokota, H.; Glazer, A. M. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6231	journal	October 2014

Cited By (2)

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 Zhao, Changhao; Li, Fei; Zhang, Shujun Journal of Applied Physics, Vol. 126, Issue 7 https://doi.org/10.1063/1.5089477	journal	August 2019
Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials Usher, Tedi-Marie; Forrester, Jennifer S.; McDonnell, Marshall Review of Scientific Instruments, Vol. 89, Issue 9 https://doi.org/10.1063/1.5037609	journal	September 2018

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Title: Local structural behavior of PbZr0.5Ti0.5O3 during electric field application via in situ pair distribution function study

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Title: Local structural behavior of PbZr_0.5Ti_0.5O₃ during electric field application via in situ pair distribution function study