Emergence of high piezoelectricity from competing local polar order-disorder in relaxor ferroelectrics

Liu, Hui; Shi, Xiaoming; Yao, Yonghao; Luo, Huajie; Li, Qiang; Huang, Houbing; Qi, He; Zhang, Yuanpeng; Ren, Yang; Kelly, Shelly D.; Roleder, Krystian; Neuefeind, Joerg C.; Chen, Long-Qing; Xing, Xianran; Chen, Jun

doi:10.1038/s41467-023-36749-w

Title: Emergence of high piezoelectricity from competing local polar order-disorder in relaxor ferroelectrics

Journal Article · Thu Feb 23 00:00:00 EST 2023 · Nature Communications

DOI:https://doi.org/10.1038/s41467-023-36749-w· OSTI ID:1965227

^[1]; Shi, Xiaoming ^[2]; Yao, Yonghao ^[1]; Luo, Huajie ^[1]; Li, Qiang ^[1];

^[2];

^[1]; Zhang, Yuanpeng ^[3]; Ren, Yang ^[4]; Kelly, Shelly D. ^[5];

^[6];

^[3];

^[7];

^[1];

^[1]

University of Science and Technology Beijing (China)
Beijing Institute of Technology (China)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
City University of Hong Kong, Kowloon (Hong Kong)
Argonne National Laboratory (ANL), Argonne, IL (United States)
University of Silesia, Katowice (Poland)
Pennsylvania State University, University Park, PA (United States)

Relaxor ferroelectrics are known for outstanding piezoelectric properties, finding a broad range of applications in advanced electromechanical devices. Decoding the origins of the enhanced properties, however, have long been complicated by the heterogeneous local structures. Here, we employ the advanced big-box refinement method by fitting neutron-, X-ray-based total scattering, and X-ray absorption spectrum simultaneously, to extract local atomic polar displacements and construct 3D polar configurations in the classical relaxor ferroelectric Pb(Mg_1/3Nb_2/3)O₃–PbTiO₃. Our results demonstrate that prevailing order-disorder character accompanied by the continuous rotation of local polar displacements commands the composition-driven global structure evolution. The omnidirectional local polar disordering appears as an indication of macroscopic relaxor characteristics. Combined with phase-field simulations, it demonstrates that the competing local polar order-disorder between different states with balanced local polar length and direction randomness leads to a flattening free-energy profile over a wide polar length, thus giving rise to high piezoelectricity. Our work clarifies that the critical structural feature required for high piezoelectricity is the competition states of local polar rather than relaxor.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); Central Universities, China; China Postdoctoral Science Foundation

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357; 22235002; 22075014; 06500162; BX20200044; 2020M680344

OSTI ID:: 1965227

Journal Information:: Nature Communications, Vol. 14, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (46)

Recent progress in relaxor ferroelectrics with perovskite structure Bokov, A. A.; Ye, Z. -G. Journal of Materials Science, Vol. 41, Issue 1 https://doi.org/10.1007/s10853-005-5915-7	journal	January 2006
Evolving Differentiated Local Polar Displacement and Relaxor Behavior in Pb(Mg_1/3Nb_2/3)O₃–PbTiO₃ Perovskites Liu, Hui; Sun, Zheng; Sun, Shengdong Chemistry of Materials, Vol. 34, Issue 9 https://doi.org/10.1021/acs.chemmater.2c00038	journal	April 2022
Evidence for $M_{B}$ and $M_{C}$ phases in the morphotropic phase boundary region of $(1 - x) [Pb ({Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3}] - x {PbTiO}_{3} :$ A Rietveld study Singh, Akhilesh Kumar; Pandey, Dhananjai Physical Review B, Vol. 67, Issue 6 https://doi.org/10.1103/PhysRevB.67.064102	journal	February 2003
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
Role of random electric fields in relaxors Phelan, Daniel; Stock, Christopher; Rodriguez-Rivera, Jose A. Proceedings of the National Academy of Sciences, Vol. 111, Issue 5 https://doi.org/10.1073/pnas.1314780111	journal	January 2014
Giant electromechanical coupling of relaxor ferroelectrics controlled by polar nanoregion vibrations Manley, Michael E.; Abernathy, Douglas L.; Sahul, Raffi Science Advances, Vol. 2, Issue 9 https://doi.org/10.1126/sciadv.1501814	journal	September 2016
Design of superior electrostriction in BaTiO ₃ ‐based lead‐free relaxors via the formation of polarization nanoclusters Wang, Lu; Qi, He; Deng, Shiqing InfoMat, Vol. 5, Issue 1 https://doi.org/10.1002/inf2.12362	journal	September 2022
Powder neutron diffraction study of phase transitions in and a phase diagram of $(1 - x) [Pb ({Mg}_{1 ∕ 3} {Nb}_{2 ∕ 3}) O_{3}] − x Pb Ti O_{3}$ Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Physical Review B, Vol. 74, Issue 2 https://doi.org/10.1103/PhysRevB.74.024101	journal	July 2006
The Problem with Determining Atomic Structure at the Nanoscale Billinge, S. J. L.; Levin, I. Science, Vol. 316, Issue 5824 https://doi.org/10.1126/science.1135080	journal	April 2007
Local Structural Heterogeneity and Electromechanical Responses of Ferroelectrics: Learning from Relaxor Ferroelectrics Li, Fei; Zhang, Shujun; Damjanovic, Dragan Advanced Functional Materials, Vol. 28, Issue 37 https://doi.org/10.1002/adfm.201801504	journal	July 2018
Ultrahigh piezoelectricity in ferroelectric ceramics by design Li, Fei; Lin, Dabin; Chen, Zibin Nature Materials, Vol. 17, Issue 4 https://doi.org/10.1038/s41563-018-0034-4	journal	March 2018
Advantages and challenges of relaxor-PbTiO3 ferroelectric crystals for electroacoustic transducers – A review Zhang, Shujun; Li, Fei; Jiang, Xiaoning Progress in Materials Science, Vol. 68 https://doi.org/10.1016/j.pmatsci.2014.10.002	journal	March 2015
Dielectric and pyroelectric properties in the Pb(Mg _1/3 Nb _2/3 )O ₃ -PbTiO ₃ system Choi, S. W.; Shrout, R. T. R.; Jang, S. J. Ferroelectrics, Vol. 100, Issue 1 https://doi.org/10.1080/00150198908007897	journal	December 1989
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
The origin of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution crystals Li, Fei; Zhang, Shujun; Yang, Tiannan Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13807	journal	December 2016
Ultrahigh piezoelectricity in lead-free piezoceramics by synergistic design Wang, Dawei; Fan, Zhongming; Rao, Guanghui Nano Energy, Vol. 76 https://doi.org/10.1016/j.nanoen.2020.104944	journal	October 2020
Predicting short-range order and correlated phenomena in disordered crystalline materials O’Quinn, Eric C.; Sickafus, Kurt E.; Ewing, Rodney C. Science Advances, Vol. 6, Issue 35 https://doi.org/10.1126/sciadv.abc2758	journal	August 2020
The relation of local order to material properties in relaxor ferroelectrics Krogstad, M. J.; Gehring, P. M.; Rosenkranz, S. Nature Materials, Vol. 17, Issue 8 https://doi.org/10.1038/s41563-018-0112-7	journal	June 2018
Evidence for domain-type dynamics in the ergodic phase of the ${PbMg}_{1 / 3}$ ${Nb}_{2 / 3}$ $O_{3}$ relaxor ferroelectric Glazounov, A. E.; Tagantsev, A. K.; Bell, A. J. Physical Review B, Vol. 53, Issue 17 https://doi.org/10.1103/PhysRevB.53.11281	journal	May 1996
Ultrahigh Performance in Lead-Free Piezoceramics Utilizing a Relaxor Slush Polar State with Multiphase Coexistence Tao, Hong; Wu, Haijun; Liu, Yao Journal of the American Chemical Society, Vol. 141, Issue 35 https://doi.org/10.1021/jacs.9b07188	journal	August 2019
Giant piezoelectricity of Sm-doped Pb(Mg _1/3 Nb _2/3 )O ₃ -PbTiO ₃ single crystals Li, Fei; Cabral, Matthew J.; Xu, Bin Science, Vol. 364, Issue 6437 https://doi.org/10.1126/science.aaw2781	journal	April 2019
Mesoscale origin of dielectric relaxation with superior electrostrictive strain in bismuth ferrite-based ceramics Zheng, Ting; Wu, Jiagang Materials Horizons, Vol. 7, Issue 11 https://doi.org/10.1039/D0MH01296C	journal	January 2020
Stochastic Polarization Instability in PbTiO3 Datta, K.; Margaritescu, I.; Keen, D. A. Physical Review Letters, Vol. 121, Issue 13 https://doi.org/10.1103/PhysRevLett.121.137602	journal	September 2018
Direct Relationship between Magnetism and ${MnO}_{6}$ Distortions in ${La}_{1 - x} {Ca}_{x} {MnO}_{3}$ Booth, C. H.; Bridges, F.; Kwei, G. H. Physical Review Letters, Vol. 80, Issue 4 https://doi.org/10.1103/PhysRevLett.80.853	journal	January 1998
Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries Ji, Huiwen; Urban, Alexander; Kitchaev, Daniil A. Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08490-w	journal	February 2019
Relaxor-based ferroelectric single crystals: Growth, domain engineering, characterization and applications Sun, Enwei; Cao, Wenwu Progress in Materials Science, Vol. 65 https://doi.org/10.1016/j.pmatsci.2014.03.006	journal	August 2014
Atomic-resolution electron microscopy of nanoscale local structure in lead-based relaxor ferroelectrics Kumar, Abinash; Baker, Jonathon N.; Bowes, Preston C. Nature Materials, Vol. 20, Issue 1 https://doi.org/10.1038/s41563-020-0794-5	journal	September 2020
Role of Reversible Phase Transformation for Strong Piezoelectric Performance at the Morphotropic Phase Boundary Liu, Hui; Chen, Jun; Huang, Houbing Physical Review Letters, Vol. 120, Issue 5 https://doi.org/10.1103/PhysRevLett.120.055501	journal	January 2018
Probing disorder in isometric pyrochlore and related complex oxides Shamblin, Jacob; Feygenson, Mikhail; Neuefeind, Joerg Nature Materials, Vol. 15, Issue 5 https://doi.org/10.1038/nmat4581	journal	February 2016
Relaxor $Pb ({Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3}$ : A Ferroelectric with Multiple Inhomogeneities Fu, Desheng; Taniguchi, Hiroki; Itoh, Mitsuru Physical Review Letters, Vol. 103, Issue 20 https://doi.org/10.1103/PhysRevLett.103.207601	journal	November 2009
Glassy polarization behavior in ferroelectric compounds and Burns, Gerald; Dacol, F. H. Solid State Communications, Vol. 48, Issue 10 https://doi.org/10.1016/0038-1098(83)90132-1	journal	December 1983
Local atomic order and hierarchical polar nanoregions in a classical relaxor ferroelectric Eremenko, M.; Krayzman, V.; Bosak, A. Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10665-4	journal	June 2019
Total scattering and the pair distribution function in crystallography Keen, David A. Crystallography Reviews, Vol. 26, Issue 3 https://doi.org/10.1080/0889311X.2020.1797708	journal	July 2020
Synthesis of a metallic mesoporous pyrochlore as a catalyst for lithium–O₂ batteries Oh, Si Hyoung; Black, Robert; Pomerantseva, Ekaterina Nature Chemistry, Vol. 4, Issue 12, p. 1004-1010 https://doi.org/10.1038/nchem.1499	journal	November 2012
Phase diagram of the relaxor ferroelectric (1 − x )Pb(Mg _1/3 Nb _2/3 )O ₃ + x PbTiO ₃ revisited: a neutron powder diffraction study of the relaxor skin effect Phelan, D.; Rodriguez, E. E.; Gao, J. Phase Transitions, Vol. 88, Issue 3 https://doi.org/10.1080/01411594.2014.989226	journal	November 2014
Designing disorder into crystalline materials Simonov, Arkadiy; Goodwin, Andrew L. Nature Reviews Chemistry, Vol. 4, Issue 12 https://doi.org/10.1038/s41570-020-00228-3	journal	October 2020
Phase instability induced by polar nanoregions in a relaxor ferroelectric system Xu, Guangyong; Wen, Jinsheng; Stock, C. Nature Materials, Vol. 7, Issue 7 https://doi.org/10.1038/nmat2196	journal	May 2008
Neutron Diffuse Scattering in Lead-Based Relaxor Ferroelectrics and its Relationship to the Ultra-High Piezoelectricity Gehring, Peter M. Journal of Advanced Dielectrics, Vol. 02, Issue 02 https://doi.org/10.1142/S2010135X12410056	journal	April 2012
Relaxor ferroelectrics Cross, L. Eric Ferroelectrics, Vol. 76, Issue 1 https://doi.org/10.1080/00150198708016945	journal	December 1987
A phase-field model of relaxor ferroelectrics based on random field theory Wang, Shuai; Yi, Min; Xu, Bai-Xiang International Journal of Solids and Structures, Vol. 83 https://doi.org/10.1016/j.ijsolstr.2016.01.007	journal	April 2016
Modeling of polar nanoregions dynamics on the dielectric response of relaxors Ni, Y.; Chen, H. T.; Shi, Y. P. Journal of Applied Physics, Vol. 113, Issue 22 https://doi.org/10.1063/1.4809977	journal	June 2013
Relaxing with relaxors: a review of relaxor ferroelectrics Cowley, R. A.; Gvasaliya, S. N.; Lushnikov, S. G. Advances in Physics, Vol. 60, Issue 2 https://doi.org/10.1080/00018732.2011.555385	journal	April 2011
Phase diagram of the ferroelectric relaxor $(1 - x) {PbMg}_{1 / 3} {Nb}_{2 / 3} O_{3} - x {PbTiO}_{3}$ Noheda, B.; Cox, D. E.; Shirane, G. Physical Review B, Vol. 66, Issue 5 https://doi.org/10.1103/PhysRevB.66.054104	journal	August 2002
The phase transition sequence and the location of the morphotropic phase boundary region in (1 x)[Pb (Mg _1/3 Nb _2/3 )O ₃ ] xPbTiO ₃ single crystal Guo, Yiping; Luo, Haosu; Ling, Di Journal of Physics: Condensed Matter, Vol. 15, Issue 2 https://doi.org/10.1088/0953-8984/15/2/110	journal	January 2003
Slush-like polar structures in single-crystal relaxors Takenaka, Hiroyuki; Grinberg, Ilya; Liu, Shi Nature, Vol. 546, Issue 7658 https://doi.org/10.1038/nature22068	journal	June 2017
Critical Role of Monoclinic Polarization Rotation in High-Performance Perovskite Piezoelectric Materials Liu, Hui; Chen, Jun; Fan, Longlong Physical Review Letters, Vol. 119, Issue 1 https://doi.org/10.1103/PhysRevLett.119.017601	journal	July 2017

Figures / Tables (5)

Similar Records

Superior Capacitive Energy-Storage Performance in Pb-Free Relaxors with a Simple Chemical Composition

Journal Article · Thu Mar 09 00:00:00 EST 2023 · Journal of the American Chemical Society · OSTI ID:1965227

Sun, Zheng; Zhang, Ji; Luo, Huajie; +12 more

Ultrahigh strain and piezoelectric behavior in relaxor based ferroelectric single crystals

Journal Article · Fri Aug 01 00:00:00 EDT 1997 · Journal of Applied Physics · OSTI ID:1965227

Park, S; Shrout, T R

The Contributions of Polar Nanoregions to the Dielectric and Piezoelectric Responses in Domain-Engineered Relaxor-PbTiO₃ Crystals

Journal Article · Tue Mar 21 00:00:00 EDT 2017 · Advanced Functional Materials · OSTI ID:1965227

Li, Fei; Zhang, Shujun; Xu, Zhuo; +1 more

Related Subjects

42 ENGINEERING
ferroelectrics
multiferroics
materials for devices

Title: Emergence of high piezoelectricity from competing local polar order-disorder in relaxor ferroelectrics

Citation Formats

References (46)

Figures / Tables (5)

Similar Records

Related Subjects