Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg1/2Ti1/2O3-(1$-$x)PbTiO3

Datta, Kaustuv; Neder, Reinhard B.; Chen, Jun; Neuefeind, Joerg C.; Mihailova, Boriana

doi:10.1038/s41598-017-00530-z

Title: Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg_1/2Ti_1/2O₃-(1$$-$$x)PbTiO₃

Abstract

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reported properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novelmore » and bespoke materials.« less

Authors:

Datta, Kaustuv ^[1]; Neder, Reinhard B. ^[2]; Chen, Jun ^[3];

^[4]; Mihailova, Boriana ^[1]

Univ. of Hamburg (Germany). Dept. of Earth Sciences
Univ. of Erlangen-Nuremberg, Erlangen (Germany). Dept. of Crystallography and Structure Physics
Univ. of Science and Technology, Beijing (China). School of Metallurgical and Ecological Engineering
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division

Publication Date:: Tue Mar 28 00:00:00 EDT 2017

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1349603

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Scientific Reports

Additional Journal Information:: Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2045-2322

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Datta, Kaustuv, Neder, Reinhard B., Chen, Jun, Neuefeind, Joerg C., and Mihailova, Boriana. Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg1/2Ti1/2O3-(1$-$x)PbTiO3.  United States: N. p., 2017. 
Web.  doi:10.1038/s41598-017-00530-z.

Copy to clipboard


                    Datta, Kaustuv, Neder, Reinhard B., Chen, Jun, Neuefeind, Joerg C., & Mihailova, Boriana. Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg1/2Ti1/2O3-(1$-$x)PbTiO3.  United States.  https://doi.org/10.1038/s41598-017-00530-z

Copy to clipboard


                    Datta, Kaustuv, Neder, Reinhard B., Chen, Jun, Neuefeind, Joerg C., and Mihailova, Boriana. Tue .  
"Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg1/2Ti1/2O3-(1$-$x)PbTiO3".  United States.  https://doi.org/10.1038/s41598-017-00530-z.  https://www.osti.gov/servlets/purl/1349603.

Copy to clipboard


                    
@article{osti_1349603,

  title        = {Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg1/2Ti1/2O3-(1$-$x)PbTiO3},

  author       = {Datta, Kaustuv and Neder, Reinhard B. and Chen, Jun and Neuefeind, Joerg C. and Mihailova, Boriana},

  abstractNote = {Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reported properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.},

  doi          = {10.1038/s41598-017-00530-z},

  journal      = {Scientific Reports},

  number       = 1,

  volume       = 7,

  place        = {United States},

  year         = {Tue Mar 28 00:00:00 EDT 2017},

  month        = {Tue Mar 28 00:00:00 EDT 2017}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1038/s41598-017-00530-z

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 18 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Diffuse Scattering and Defect Structure Simulations
book, July 2008

Neder, Reinhard B.; Proffen, Thomas
Oxford University Press
DOI: 10.1093/acprof:oso/9780199233694.001.0001

Reverse Monte Carlo modelling
journal, November 2001

McGreevy, R. L.
Journal of Physics: Condensed Matter, Vol. 13, Issue 46
DOI: 10.1088/0953-8984/13/46/201

Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics
journal, January 2000

Fu, Huaxiang; Cohen, Ronald E.
Nature, Vol. 403, Issue 6767
DOI: 10.1038/35002022

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg _1/2 Ti _1/2 )O ₃ -xPbTiO ₃ piezoceramics
journal, April 2015

Upadhyay, Ashutosh; Singh, Akhilesh Kumar
Journal of Applied Physics, Vol. 117, Issue 14
DOI: 10.1063/1.4917211

Thermodynamics of Ferroelectric Solid Solutions with Morphotropic Phase Boundaries
journal, May 2014

Heitmann, Adam A.; Rossetti, George A.
Journal of the American Ceramic Society, Vol. 97, Issue 6
DOI: 10.1111/jace.12979

Local Structure of a Pure Bi A Site Polar Perovskite Revealed by Pair Distribution Function Analysis and Reverse Monte Carlo Modeling: Correlated Off-Axis Displacements in a Rhombohedral Material
journal, March 2012

Chong, Samantha Y.; Szczecinski, Robert J.; Bridges, Craig A.
Journal of the American Chemical Society, Vol. 134, Issue 13
DOI: 10.1021/ja210698e

Nanometer-range atomic order directly recovered from resonant diffuse scattering
journal, February 2016

Kopecký, M.; Kub, J.; Fábry, J.
Physical Review B, Vol. 93, Issue 5
DOI: 10.1103/physrevb.93.054202

Predicting the position of the morphotropic phase boundary in high temperature PbTiO3-Bi(B′B″)O3 based dielectric ceramics
journal, October 2004

Suchomel, Matthew R.; Davies, Peter K.
Journal of Applied Physics, Vol. 96, Issue 8
DOI: 10.1063/1.1789267

Temperature dependence of piezoelectric properties of high-TC Bi(Mg1/2Ti1/2)O3–PbTiO3
journal, August 2009

Chen, Jun; Tan, Xiaoli; Jo, Wook
Journal of Applied Physics, Vol. 106, Issue 3
DOI: 10.1063/1.3191666

Local structure and polarization in Pb containing ferroelectric oxides
conference, January 1998

Egami, T.; Dmowski, W.; Akbas, M.
The 5th Williamsburg workshop on first-principles calculations for ferroelectrics, AIP Conference Proceedings
DOI: 10.1063/1.56286

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

Diffuse Scattering from Lead-Containing Ferroelectric Perovskite Oxides
journal, January 2013

Goossens, D. J.
ISRN Materials Science, Vol. 2013
DOI: 10.1155/2013/107178

Long wavelength optical phonons in mixed crystals
journal, May 1971

Chang, I. F.; Mitra, S. S.
Advances in Physics, Vol. 20, Issue 85
DOI: 10.1080/00018737100101271

Landau theory of the nematic-isotropic phase transition
journal, April 1986

Gramsbergen, Egbert F.; Longa, Lech; de Jeu, Wim H.
Physics Reports, Vol. 135, Issue 4
DOI: 10.1016/0370-1573(86)90007-4

Origin of morphotropic phase boundaries in ferroelectrics
journal, January 2008

Ahart, Muhtar; Somayazulu, Maddury; Cohen, R. E.
Nature, Vol. 451, Issue 7178
DOI: 10.1038/nature06459

Crystal Structure of Metastable Perovskite Bi(Mg _1/ ₂ Ti _1/2 )O ₃ : Bi-Based Structural Analogue of Antiferroelectric PbZrO ₃
journal, October 2006

Khalyavin, Dmitry D.; Salak, Andrei N.; Vyshatko, Nikolai P.
Chemistry of Materials, Vol. 18, Issue 21
DOI: 10.1021/cm061129w

Local Lattice Dynamics and the Origin of the Relaxor Ferroelectric Behavior
journal, April 2008

Dmowski, W.; Vakhrushev, S. B.; Jeong, I. -K.
Physical Review Letters, Vol. 100, Issue 13
DOI: 10.1103/physrevlett.100.137602

Effects of Atomic Short-Range Order on the Properties of Perovskite Alloys in their Morphotropic Phase Boundary
journal, July 2003

George, A. M.; Íñiguez, Jorge; Bellaiche, L.
Physical Review Letters, Vol. 91, Issue 4
DOI: 10.1103/physrevlett.91.045504

Local structural view on the polarization rotation in relaxor ferroelectric (1−x)Pb(Zn1∕3Nb2∕3)O3–xPbTiO3
journal, April 2008

Jeong, I. -K.; Lee, J. K.; Heffner, R. H.
Applied Physics Letters, Vol. 92, Issue 17
DOI: 10.1063/1.2919070

Investigation of a high Tc piezoelectric system: (1−x)Bi(Mg1/2Ti1/2)O3–(x)PbTiO3
journal, April 2004

Randall, C. A.; Eitel, R.; Jones, B.
Journal of Applied Physics, Vol. 95, Issue 7
DOI: 10.1063/1.1625089

Application of the reverse Monte Carlo method to crystalline materials
journal, September 2001

Tucker, Matthew G.; Dove, Martin T.; Keen, David A.
Journal of Applied Crystallography, Vol. 34, Issue 5
DOI: 10.1107/s002188980100930x

Relationship between negative thermal expansion and lattice dynamics in a tetragonal PbTiO ₃ –Bi(Mg _1/2 Ti _1/2 )O ₃ perovskite single crystal
journal, January 2016

Jiang, Kai; Zhang, Peng; Zhang, Jinzhong
RSC Advances, Vol. 6, Issue 4
DOI: 10.1039/c5ra24408k

Local structure and dynamics in relaxor-ferroelectric PbSc _1/2 Nb _1/2 O ₃ and PbSc _1/2 Ta _1/2 O ₃ single crystals
journal, January 2002

Mihailova, B.; Bismayer, U.; Güttler, B.
Journal of Physics: Condensed Matter, Vol. 14, Issue 5
DOI: 10.1088/0953-8984/14/5/314

A monoclinic ferroelectric phase in the Pb(Zr1−xTix)O3 solid solution
journal, April 1999

Noheda, B.; Cox, D. E.; Shirane, G.
Applied Physics Letters, Vol. 74, Issue 14
DOI: 10.1063/1.123756

Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations
journal, November 2005

Grinberg, Ilya; Suchomel, Matthew R.; Davies, Peter K.
Journal of Applied Physics, Vol. 98, Issue 9
DOI: 10.1063/1.2128049

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

Temperature Dependence of Dielectric/Piezoelectric Properties of (1−x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 Ceramics with an MPB Composition: Temperature Dependent Properties of BMT-PT Ceramics
journal, June 2010

Zhang, Qiang; Li, Zhenrong; Li, Fei
Journal of the American Ceramic Society, Vol. 93, Issue 10
DOI: 10.1111/j.1551-2916.2010.03860.x

Structural state of relaxor ferroelectrics PbSc $_{0.5}$ Ta $_{0.5}$ O $_{3}$ and PbSc $_{0.5}$ Nb $_{0.5}$ O $_{3}$ at high pressures up to 30 GPa
journal, November 2011

Maier, B. J.; Waeselmann, N.; Mihailova, B.
Physical Review B, Vol. 84, Issue 17
DOI: 10.1103/physrevb.84.174104

Relationship between local structure and phase transitions of a disordered solid solution
journal, October 2002

Grinberg, Ilya; Cooper, Valentino R.; Rappe, Andrew M.
Nature, Vol. 419, Issue 6910
DOI: 10.1038/nature01115

Domain switching in polycrystalline ferroelectric ceramics
journal, September 2005

Li, J. Y.; Rogan, R. C.; Üstündag, E.
Nature Materials, Vol. 4, Issue 10
DOI: 10.1038/nmat1485

An electron diffraction and Monte Carlo simulation study of diffuse scattering in Pb(Zr,Ti)O ₃
journal, August 2008

Baba-Kishi, K. Z.; Welberry, T. R.; Withers, R. L.
Journal of Applied Crystallography, Vol. 41, Issue 5
DOI: 10.1107/s0021889808026253

Pressure-induced structural transformations in pure and Ru-doped 0.9PbZn $_{1 / 3}$ Nb $_{2 / 3}$ O $_{3}$ -0.1PbTiO $_{3}$ near the morphotropic phase boundary
journal, January 2012

Waeselmann, N.; Maier, B. J.; Mihailova, B.
Physical Review B, Vol. 85, Issue 1
DOI: 10.1103/physrevb.85.014106

Transformation processes in relaxor ferroelectric PbSc _0.5 Ta _0.5 O ₃ heavily doped with Nb and Sn
journal, February 2011

Welsch, Anna-Maria; Maier, Bernd J.; Mihailova, Boriana
Zeitschrift für Kristallographie, Vol. 226, Issue 2
DOI: 10.1524/zkri.2011.1324

Local Structure of Ferroelectric Materials
journal, August 2007

Egami, T.
Annual Review of Materials Research, Vol. 37, Issue 1
DOI: 10.1146/annurev.matsci.37.052506.084157

Local atomic structure of relaxor ferroelectric solids determined by pulsed neutron and x-ray scattering
journal, July 1997

Egami, T.; Teslic, S.; Dmowski, W.
Ferroelectrics, Vol. 199, Issue 1
DOI: 10.1080/00150199708213432

The missing boundary in the phase diagram of PbZr1−xTixO3
journal, October 2014

Zhang, N.; Yokota, H.; Glazer, A. M.
Nature Communications, Vol. 5, Issue 1
DOI: 10.1038/ncomms6231

Origin of the High Piezoelectric Response in ${PbZr}_{1 - x} {Ti}_{x} O_{3}$
journal, June 2000

Guo, R.; Cross, L. E.; Park, S-E.
Physical Review Letters, Vol. 84, Issue 23
DOI: 10.1103/PhysRevLett.84.5423

Nanodomain structure of $Pb [{Zr}_{1 - x} {Ti}_{x}] O_{3}$ at its morphotropic phase boundary: Investigations from local to average structure
journal, May 2007

Schönau, Kristin A.; Schmitt, Ljubomira A.; Knapp, Michael
Physical Review B, Vol. 75, Issue 18
DOI: 10.1103/PhysRevB.75.184117

Structural Heterogeneity and Diffuse Scattering in Morphotropic Lead Zirconate-Titanate Single Crystals
journal, August 2012

Burkovsky, R. G.; Bronwald, Yu. A.; Filimonov, A. V.
Physical Review Letters, Vol. 109, Issue 9
DOI: 10.1103/PhysRevLett.109.097603

Polarization Rotation via a Monoclinic Phase in the Piezoelectric 92% ${PbZn}_{1 / 3} {Nb}_{2 / 3} O_{3}$ -8% ${PbTiO}_{3}$
journal, April 2001

Noheda, B.; Cox, D. E.; Shirane, G.
Physical Review Letters, Vol. 86, Issue 17
DOI: 10.1103/PhysRevLett.86.3891

Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric
journal, April 2013

Takenaka, Hiroyuki; Grinberg, Ilya; Rappe, Andrew M.
Physical Review Letters, Vol. 110, Issue 14
DOI: 10.1103/PhysRevLett.110.147602

Raman Spectroscopy Applied to the Study of Phase Transitions
journal, February 1998

Husson, E.
Key Engineering Materials, Vol. 155-156
DOI: 10.4028/www.scientific.net/KEM.155-156.1

New High Temperature Morphotropic Phase Boundary Piezoelectrics Based on Bi(Me)O ₃ –PbTiO ₃ Ceramics
journal, October 2001

Eitel, Richard E.; Randall, Clive A.; Shrout, Thomas R.
Japanese Journal of Applied Physics, Vol. 40, Issue Part 1, No. 10
DOI: 10.1143/JJAP.40.5999

Preparation and Characterization of High Temperature Perovskite Ferroelectrics in the Solid-Solution (1- x )BiScO ₃ – x PbTiO ₃
journal, April 2002

Eitel, Richard E.; Randall, Clive A.; Shrout, Thomas R.
Japanese Journal of Applied Physics, Vol. 41, Issue Part 1, No. 4A
DOI: 10.1143/JJAP.41.2099

Lead-free and lead-based $A B$ O $_{3}$ perovskite relaxors with mixed-valence $A$ -site and $B$ -site disorder: Comparative neutron scattering structural study of (Na $_{1 / 2}$ Bi $_{1 / 2}$ )TiO $_{3}$ and Pb(Mg $_{1 / 3}$ Nb $_{2 / 3}$ )O $_{3}$
journal, November 2013

Ge, Wenwei; Devreugd, Christopher P.; Phelan, D.
Physical Review B, Vol. 88, Issue 17
DOI: 10.1103/PhysRevB.88.174115

Direct Observation of the Formation of Polar Nanoregions in $Pb ({Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3}$ Using Neutron Pair Distribution Function Analysis
journal, April 2005

Jeong, I. -K.; Darling, T. W.; Lee, J. K.
Physical Review Letters, Vol. 94, Issue 14
DOI: 10.1103/PhysRevLett.94.147602

Ferroelectric-relaxor crossover in $Ba ({Ti}_{1 - x} {Zr}_{x}) O_{3}$ studied using neutron total scattering measurements and reverse Monte Carlo modeling
journal, June 2010

Jeong, I. -K.; Park, C. Y.; Ahn, J. S.
Physical Review B, Vol. 81, Issue 21
DOI: 10.1103/PhysRevB.81.214119

Direct mapping of microscopic polarization in ferroelectric $x ({BiScO}_{3}) − (1 - x) ({PbTiO}_{3})$ throughout its morphotropic phase boundary
journal, February 2016

Datta, K.; Richter, A.; Göbbels, M.
Physical Review B, Vol. 93, Issue 6
DOI: 10.1103/PhysRevB.93.064102

Local atomic structure deviation from average structure of Na $_{0.5}$ Bi $_{0.5}$ TiO $_{3}$ : Combined x-ray and neutron total scattering study
journal, March 2013

Aksel, Elena; Forrester, Jennifer S.; Nino, Juan C.
Physical Review B, Vol. 87, Issue 10
DOI: 10.1103/PhysRevB.87.104113

Nonmonotonic $T_{C}$ Trends in Bi-Based Ferroelectric Perovskite Solid Solutions
journal, January 2007

Grinberg, Ilya; Rappe, Andrew M.
Physical Review Letters, Vol. 98, Issue 3
DOI: 10.1103/PhysRevLett.98.037603

Correlations between tetragonality, polarization, and ionic displacement in ${PbTiO}_{3}$ -derived ferroelectric perovskite solid solutions
journal, October 2010

Qi, Tingting; Grinberg, Ilya; Rappe, Andrew M.
Physical Review B, Vol. 82, Issue 13
DOI: 10.1103/PhysRevB.82.134113

Crystal structure and cation off-centering in Bi(Mg $_{1 / 2}$ Ti $_{1 / 2}$ )O $_{3}$
journal, August 2012

Suewattana, Malliga; Singh, David J.; Limpijumnong, Sukit
Physical Review B, Vol. 86, Issue 6
DOI: 10.1103/PhysRevB.86.064105

Interplay between $A$ -site and $B$ -site driven instabilities in perovskites
journal, August 2005

Ghita, M.; Fornari, M.; Singh, D. J.
Physical Review B, Vol. 72, Issue 5
DOI: 10.1103/PhysRevB.72.054114

Atomic sublattice decomposition of piezoelectric response in tetragonal $Pb Ti O_{3}$ , $Ba Ti O_{3}$ , and $K Nb O_{3}$
journal, March 2014

Shi, Jing; Grinberg, Ilya; Wang, Xiaoli
Physical Review B, Vol. 89, Issue 9
DOI: 10.1103/PhysRevB.89.094105

Mesoscopic-scale structure and dynamics near the morphotropic phase boundary of $(1 - x) {PbTiO}_{3} - x {BiScO}_{3}$
journal, July 2015

Datta, K.; Richter, A.; Göbbels, M.
Physical Review B, Vol. 92, Issue 2
DOI: 10.1103/PhysRevB.92.024107

High-pressure phases in highly piezoelectric ${PbZr}_{0.52} {Ti}_{0.48} O_{3}$
journal, January 2004

Sani, A.; Noheda, B.; Kornev, I. A.
Physical Review B, Vol. 69, Issue 2
DOI: 10.1103/PhysRevB.69.020105

Atomistic origin of huge response functions at the morphotropic phase boundary of $(1 - x) {Na}_{0.5} {Bi}_{0.5} {TiO}_{3} − x {BaTiO}_{3}$
journal, August 2014

Datta, K.; Richter, A.; Göbbels, M.
Physical Review B, Vol. 90, Issue 6
DOI: 10.1103/PhysRevB.90.064112

Monoclinic and triclinic phases in higher-order Devonshire theory
journal, January 2001

Vanderbilt, David; Cohen, Morrel H.
Physical Review B, Vol. 63, Issue 9
DOI: 10.1103/PhysRevB.63.094108

Crystal Structure of Metastable Perovskite Bi(Mg1/2Ti1/2)O3: Bi-Based Structural Analogue of Antiferroelectric PbZrO3.
journal, January 2007

Khalyavin, Dmitry D.; Salak, Andrei N.; Vyshatko, Nikolai P.
ChemInform, Vol. 38, Issue 2
DOI: 10.1002/chin.200702020

Structural state of relaxor ferroelectrics $PbSc_{0.5}Ta_{0.5}O_{3}$ and $PbSc_{0.5}Nb_{0.5}O_{3}$ at high pressures up to 30 GPa
text, January 2011

Maier, B. J.; Waeselmann, N.; Mihailova, B.
Deutsches Elektronen-Synchrotron, DESY, Hamburg
DOI: 10.3204/phppubdb-20466

Structural heterogeneity and diffuse scattering in morphotropic lead zirconate-titanate single crystals
text, January 2012

Burkovsky, R. G.; Bronwald, Yu. A.; Filimonov, A. V.
arXiv
DOI: 10.48550/arxiv.1204.5878

Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric
text, January 2012

Takenaka, Hiroyuki; Grinberg, Ilya; Rappe, Andrew M.
arXiv
DOI: 10.48550/arxiv.1212.0867

Monoclinic and triclinic phases in higher-order Devonshire theory
text, January 2000

Vanderbilt, David; Cohen, Morrel H.
arXiv
DOI: 10.48550/arxiv.cond-mat/0009337

Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary
text, January 2003

George, A. M.; Iniguez, Jorge; Bellaiche, L.
arXiv
DOI: 10.48550/arxiv.cond-mat/0309413

Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations
text, January 2005

Grinberg, Ilya; Suchomel, Matthew R.; Davies, P. K.
arXiv
DOI: 10.48550/arxiv.cond-mat/0509424

A monoclinic ferroelectric phase in the Pb(Zr1-xTix)O3 solid solution
text, January 1999

Noheda, B.; Cox, D. E.; Shirane, G.
arXiv
DOI: 10.48550/arxiv.cond-mat/9903007

Works referencing / citing this record:

Multistep coupling of preexisting local ferroic distortions in PbTiO ₃ above the Curie temperature
journal, October 2018

Margaritescu, I.; Datta, K.; Mihailova, B.
Journal of Physics: Condensed Matter, Vol. 30, Issue 43
DOI: 10.1088/1361-648x/aae344

Similar Records in DOE PAGES and OSTI.GOV collections:

Piezo-/dielectric properties of perovskite-structure high-temperature relaxor ferroelectrics: The Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ceramics

Journal Article Li, Tao ; University of Chinese Academy of Sciences, Beijing 100049 ; Long, Xifa - Materials Research Bulletin

Graphical abstract: - Highlights: • Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}-based ternary ferroelectric ceramics were prepared by solid-state synthesis method. • Morphotropic phase boundary region has been determined by XRD, di-/piezoelectric properties. • The compositions near MPB region exhibit excellent piezoelectric properties. - Abstract: A new compositional system of relaxor ferroelectrics was investigated based on the high piezoelectricity Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ferroelectric perovskite family. Compositions were fabricated near an estimated morphotropic phase boundary (MPB) of the Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} (PLZNT) ternary system by a two-step synthetic process. Their structures have been analyzed by means ofmore »« less
https://doi.org/10.1016/J.MATERRESBULL.2013.12.025
High piezoelectric performance and temperature dependence of ferroelectric and piezoelectric properties of Bi(Mg_0.5Zr_0.5)O₃–PbTiO₃ near morphotropic phase boundary

Journal Article Fan, Longlong ; Chen, Jun ; Wang, Qi ; ... - Ceramics International

According to consideration on the average radius of B-site cation of BiMeO₃, we reported that the Bi(Mg_0.5Zr_0.5)O₃–xPbTiO₃ compound at the morphotropic phase boundary (MPB) of x=0.58 possesses a piezoelectric coefficient d33 as high as 306 pC/N. The optimal piezoelectric and ferroelectric properties near the MPB might be attributed to its lower lattice distortion, as described by change of FWHM value for {1 1 1}PC peaks. Furthermore, Bi(Mg_0.5Zr_0.5)O₃–xPbTiO₃ displayed stable ferroelectric and piezoelectric properties over a temperature range from ambient temperature to above 160 °C, as exhibited by temperature dependence polarization and strain versus electric field curves and thermal depoling process.
https://doi.org/10.1016/j.ceramint.2013.12.113
Composition dependence of the diffuse scattering in the relaxor ferroelectric compound (1-x)Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-xPbTiO{sub 3} (0{<=}x{<=}0.40)

Journal Article Matsuura, M ; Hirota, K ; Gehring, P M ; ... - Physical Review. B, Condensed Matter and Materials Physics

We have used neutron diffraction to characterize the diffuse scattering in five single crystals of the relaxor ferroelectric (1-x)Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-xPbTiO{sub 3} (PMN-xPT) with x=0, 10, 20, 30, and 40%. The addition of ferroelectric PbTiO{sub 3} modifies the well-known 'butterfly' and 'ellipsoidal' diffuse scattering patterns observed in pure PMN (x=0), which are believed to be associated with the presence of randomly oriented polar nanoregions. In particular, the anisotropy of the diffuse scattering diminishes as the PT content increases. The spatial correlation length {xi} along the [110] direction derived from the width of the diffuse scattering at room temperature increasesmore »« less
https://doi.org/10.1103/PHYSREVB.74.144107
The morphotropic phase boundary and dielectric properties of the xPb(Zr{sub 1/2}Ti{sub 1/2})O{sub 3}-(1-x)Pb(Ni{sub 1/3}Nb{sub 2/3})O{sub 3} perovskite solid solution

Journal Article Vittayakorn, Naratip ; Rujijanagul, Gobwute ; Tan, Xiaoli ; ... - Journal of Applied Physics

The solid solution between the normal ferroelectric Pb(Zr{sub 1/2}Ti{sub 1/2})O{sub 3} (PZT) and relaxor ferroelectric Pb(Ni{sub 1/3}Nb{sub 2/3})O{sub 3} (PNN) was synthesized by the columbite method. The phase structure and dielectric properties of xPZT-(1-x)PNN where x=0.4-0.9 and the Zr/Ti composition was fixed close to the morphotropic phase boundary (MPB) were investigated. With these data, the ferroelectric phase diagram between PZT and PNN has been established. The relaxor ferroelectric nature of PNN gradually transformed towards a normal ferroelectric state towards the composition 0.7PZT-0.3PNN, in which the permittivity was characterized by a sharp peak and the disappearance of dispersive behavior. X-ray diffractionmore »« less
https://doi.org/10.1063/1.1796511
Temperature dependences of the ferroelectric and dielectric properties of high curie temperature PbTiO{sub 3}–BiScO{sub 3}–Bi(Zn{sub 1/2}Zr{sub 1/2})O{sub 3}

Journal Article Kang, Huajun ; Chen, Jun ; Liu, Laijun ; ... - Materials Research Bulletin

Highlights: ► Ceramics exhibit enhanced ferroelectric properties with the increase of temperature. ► A strong second harmonic generation effect was observed. ► Transmission electron microscopy results confirm the existence of MPB. - Abstract: The piezoelectric ceramics (1 − x − y)PbTiO{sub 3}–xBiScO{sub 3}–yBi(Zn{sub 1/2}Zr{sub 1/2})O{sub 3} exhibit greatly enhanced ferroelectric properties above room temperature, between 100 and 200 °C. A strong second harmonic generation (SHG) effect was observed below 200 °C. The highest remanent polarization (∼40 μC/cm{sup 2}) and lowest coercive field (∼10 kV/cm) were obtained at 200 °C. X-ray diffraction (XRD) analysis was used to investigate the morphotropic phasemore »« less
https://doi.org/10.1016/J.MATERRESBULL.2013.02.002

Similar Records

Title: Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg1/2Ti1/2O3-(1$$-$$x)PbTiO3

Abstract

Citation Formats

Diffuse Scattering and Defect Structure Simulations book, July 2008

Reverse Monte Carlo modelling journal, November 2001

Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics journal, January 2000

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg 1/2 Ti 1/2 )O 3 -xPbTiO 3 piezoceramics journal, April 2015

Thermodynamics of Ferroelectric Solid Solutions with Morphotropic Phase Boundaries journal, May 2014

Local Structure of a Pure Bi A Site Polar Perovskite Revealed by Pair Distribution Function Analysis and Reverse Monte Carlo Modeling: Correlated Off-Axis Displacements in a Rhombohedral Material journal, March 2012

Nanometer-range atomic order directly recovered from resonant diffuse scattering journal, February 2016

Predicting the position of the morphotropic phase boundary in high temperature PbTiO3-Bi(B′B″)O3 based dielectric ceramics journal, October 2004

Temperature dependence of piezoelectric properties of high-TC Bi(Mg1/2Ti1/2)O3–PbTiO3 journal, August 2009

Local structure and polarization in Pb containing ferroelectric oxides conference, January 1998

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

Diffuse Scattering from Lead-Containing Ferroelectric Perovskite Oxides journal, January 2013

Long wavelength optical phonons in mixed crystals journal, May 1971

Landau theory of the nematic-isotropic phase transition journal, April 1986

Origin of morphotropic phase boundaries in ferroelectrics journal, January 2008

Crystal Structure of Metastable Perovskite Bi(Mg 1/ 2 Ti 1/2 )O 3 : Bi-Based Structural Analogue of Antiferroelectric PbZrO 3 journal, October 2006

Local Lattice Dynamics and the Origin of the Relaxor Ferroelectric Behavior journal, April 2008

Effects of Atomic Short-Range Order on the Properties of Perovskite Alloys in their Morphotropic Phase Boundary journal, July 2003

Local structural view on the polarization rotation in relaxor ferroelectric (1−x)Pb(Zn1∕3Nb2∕3)O3–xPbTiO3 journal, April 2008

Investigation of a high Tc piezoelectric system: (1−x)Bi(Mg1/2Ti1/2)O3–(x)PbTiO3 journal, April 2004

Application of the reverse Monte Carlo method to crystalline materials journal, September 2001

Relationship between negative thermal expansion and lattice dynamics in a tetragonal PbTiO 3 –Bi(Mg 1/2 Ti 1/2 )O 3 perovskite single crystal journal, January 2016

Local structure and dynamics in relaxor-ferroelectric PbSc 1/2 Nb 1/2 O 3 and PbSc 1/2 Ta 1/2 O 3 single crystals journal, January 2002

A monoclinic ferroelectric phase in the Pb(Zr1−xTix)O3 solid solution journal, April 1999

Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations journal, November 2005

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

Temperature Dependence of Dielectric/Piezoelectric Properties of (1−x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 Ceramics with an MPB Composition: Temperature Dependent Properties of BMT-PT Ceramics journal, June 2010

Structural state of relaxor ferroelectrics PbSc 0.5 Ta 0.5 O 3 and PbSc 0.5 Nb 0.5 O 3 at high pressures up to 30 GPa journal, November 2011

Relationship between local structure and phase transitions of a disordered solid solution journal, October 2002

Domain switching in polycrystalline ferroelectric ceramics journal, September 2005

An electron diffraction and Monte Carlo simulation study of diffuse scattering in Pb(Zr,Ti)O 3 journal, August 2008

Pressure-induced structural transformations in pure and Ru-doped 0.9PbZn 1 / 3 Nb 2 / 3 O 3 -0.1PbTiO 3 near the morphotropic phase boundary journal, January 2012

Transformation processes in relaxor ferroelectric PbSc 0.5 Ta 0.5 O 3 heavily doped with Nb and Sn journal, February 2011

Local Structure of Ferroelectric Materials journal, August 2007

Local atomic structure of relaxor ferroelectric solids determined by pulsed neutron and x-ray scattering journal, July 1997

The missing boundary in the phase diagram of PbZr1−xTixO3 journal, October 2014

Origin of the High Piezoelectric Response in PbZr 1 − x Ti x O 3 journal, June 2000

Nanodomain structure of Pb [ Zr 1 − x Ti x ] O 3 at its morphotropic phase boundary: Investigations from local to average structure journal, May 2007

Structural Heterogeneity and Diffuse Scattering in Morphotropic Lead Zirconate-Titanate Single Crystals journal, August 2012

Polarization Rotation via a Monoclinic Phase in the Piezoelectric 92% PbZn 1 / 3 Nb 2 / 3 O 3 -8% PbTiO 3 journal, April 2001

Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric journal, April 2013

Raman Spectroscopy Applied to the Study of Phase Transitions journal, February 1998

New High Temperature Morphotropic Phase Boundary Piezoelectrics Based on Bi(Me)O 3 –PbTiO 3 Ceramics journal, October 2001

Preparation and Characterization of High Temperature Perovskite Ferroelectrics in the Solid-Solution (1- x )BiScO 3 – x PbTiO 3 journal, April 2002

Lead-free and lead-based A B O 3 perovskite relaxors with mixed-valence A -site and B -site disorder: Comparative neutron scattering structural study of (Na 1 / 2 Bi 1 / 2 )TiO 3 and Pb(Mg 1 / 3 Nb 2 / 3 )O 3 journal, November 2013

Direct Observation of the Formation of Polar Nanoregions in Pb ( Mg 1 / 3 Nb 2 / 3 ) O 3 Using Neutron Pair Distribution Function Analysis journal, April 2005

Ferroelectric-relaxor crossover in Ba ( Ti 1 − x Zr x ) O 3 studied using neutron total scattering measurements and reverse Monte Carlo modeling journal, June 2010

Direct mapping of microscopic polarization in ferroelectric x ( BiScO 3 ) − ( 1 − x ) ( PbTiO 3 ) throughout its morphotropic phase boundary journal, February 2016

Local atomic structure deviation from average structure of Na 0.5 Bi 0.5 TiO 3 : Combined x-ray and neutron total scattering study journal, March 2013

Nonmonotonic T C Trends in Bi-Based Ferroelectric Perovskite Solid Solutions journal, January 2007

Correlations between tetragonality, polarization, and ionic displacement in PbTiO 3 -derived ferroelectric perovskite solid solutions journal, October 2010

Crystal structure and cation off-centering in Bi(Mg 1 / 2 Ti 1 / 2 )O 3 journal, August 2012

Interplay between A -site and B -site driven instabilities in perovskites journal, August 2005

Atomic sublattice decomposition of piezoelectric response in tetragonal Pb Ti O 3 , Ba Ti O 3 , and K Nb O 3 journal, March 2014

Mesoscopic-scale structure and dynamics near the morphotropic phase boundary of ( 1 − x ) PbTiO 3 − x BiScO 3 journal, July 2015

High-pressure phases in highly piezoelectric PbZr 0.52 Ti 0.48 O 3 journal, January 2004

Atomistic origin of huge response functions at the morphotropic phase boundary of ( 1 − x ) Na 0.5 Bi 0.5 TiO 3 − x BaTiO 3 journal, August 2014

Monoclinic and triclinic phases in higher-order Devonshire theory journal, January 2001

Crystal Structure of Metastable Perovskite Bi(Mg1/2Ti1/2)O3: Bi-Based Structural Analogue of Antiferroelectric PbZrO3. journal, January 2007

Structural state of relaxor ferroelectrics $PbSc_{0.5}Ta_{0.5}O_{3}$ and $PbSc_{0.5}Nb_{0.5}O_{3}$ at high pressures up to 30 GPa text, January 2011

Structural heterogeneity and diffuse scattering in morphotropic lead zirconate-titanate single crystals text, January 2012

Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric text, January 2012

Monoclinic and triclinic phases in higher-order Devonshire theory text, January 2000

Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary text, January 2003

Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations text, January 2005

A monoclinic ferroelectric phase in the Pb(Zr1-xTix)O3 solid solution text, January 1999

Multistep coupling of preexisting local ferroic distortions in PbTiO 3 above the Curie temperature journal, October 2018

Title: Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg_1/2Ti_1/2O₃-(1$$-$$x)PbTiO₃

Diffuse Scattering and Defect Structure Simulations
book, July 2008

Reverse Monte Carlo modelling
journal, November 2001

Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics
journal, January 2000

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg _1/2 Ti _1/2 )O ₃ -xPbTiO ₃ piezoceramics
journal, April 2015

Thermodynamics of Ferroelectric Solid Solutions with Morphotropic Phase Boundaries
journal, May 2014

Local Structure of a Pure Bi A Site Polar Perovskite Revealed by Pair Distribution Function Analysis and Reverse Monte Carlo Modeling: Correlated Off-Axis Displacements in a Rhombohedral Material
journal, March 2012

Nanometer-range atomic order directly recovered from resonant diffuse scattering
journal, February 2016

Predicting the position of the morphotropic phase boundary in high temperature PbTiO3-Bi(B′B″)O3 based dielectric ceramics
journal, October 2004

Temperature dependence of piezoelectric properties of high-TC Bi(Mg1/2Ti1/2)O3–PbTiO3
journal, August 2009

Local structure and polarization in Pb containing ferroelectric oxides
conference, January 1998

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

Diffuse Scattering from Lead-Containing Ferroelectric Perovskite Oxides
journal, January 2013

Long wavelength optical phonons in mixed crystals
journal, May 1971

Landau theory of the nematic-isotropic phase transition
journal, April 1986

Origin of morphotropic phase boundaries in ferroelectrics
journal, January 2008

Crystal Structure of Metastable Perovskite Bi(Mg _1/ ₂ Ti _1/2 )O ₃ : Bi-Based Structural Analogue of Antiferroelectric PbZrO ₃
journal, October 2006

Local Lattice Dynamics and the Origin of the Relaxor Ferroelectric Behavior
journal, April 2008

Effects of Atomic Short-Range Order on the Properties of Perovskite Alloys in their Morphotropic Phase Boundary
journal, July 2003

Local structural view on the polarization rotation in relaxor ferroelectric (1−x)Pb(Zn1∕3Nb2∕3)O3–xPbTiO3
journal, April 2008

Investigation of a high Tc piezoelectric system: (1−x)Bi(Mg1/2Ti1/2)O3–(x)PbTiO3
journal, April 2004

Application of the reverse Monte Carlo method to crystalline materials
journal, September 2001

Relationship between negative thermal expansion and lattice dynamics in a tetragonal PbTiO ₃ –Bi(Mg _1/2 Ti _1/2 )O ₃ perovskite single crystal
journal, January 2016

Local structure and dynamics in relaxor-ferroelectric PbSc _1/2 Nb _1/2 O ₃ and PbSc _1/2 Ta _1/2 O ₃ single crystals
journal, January 2002

A monoclinic ferroelectric phase in the Pb(Zr1−xTix)O3 solid solution
journal, April 1999

Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations
journal, November 2005

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

Temperature Dependence of Dielectric/Piezoelectric Properties of (1−x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 Ceramics with an MPB Composition: Temperature Dependent Properties of BMT-PT Ceramics
journal, June 2010

Structural state of relaxor ferroelectrics PbSc $_{0.5}$ Ta $_{0.5}$ O $_{3}$ and PbSc $_{0.5}$ Nb $_{0.5}$ O $_{3}$ at high pressures up to 30 GPa
journal, November 2011

Relationship between local structure and phase transitions of a disordered solid solution
journal, October 2002

Domain switching in polycrystalline ferroelectric ceramics
journal, September 2005

An electron diffraction and Monte Carlo simulation study of diffuse scattering in Pb(Zr,Ti)O ₃
journal, August 2008

Pressure-induced structural transformations in pure and Ru-doped 0.9PbZn $_{1 / 3}$ Nb $_{2 / 3}$ O $_{3}$ -0.1PbTiO $_{3}$ near the morphotropic phase boundary
journal, January 2012

Transformation processes in relaxor ferroelectric PbSc _0.5 Ta _0.5 O ₃ heavily doped with Nb and Sn
journal, February 2011

Local Structure of Ferroelectric Materials
journal, August 2007

Local atomic structure of relaxor ferroelectric solids determined by pulsed neutron and x-ray scattering
journal, July 1997

The missing boundary in the phase diagram of PbZr1−xTixO3
journal, October 2014

Origin of the High Piezoelectric Response in ${PbZr}_{1 - x} {Ti}_{x} O_{3}$
journal, June 2000

Nanodomain structure of $Pb [{Zr}_{1 - x} {Ti}_{x}] O_{3}$ at its morphotropic phase boundary: Investigations from local to average structure
journal, May 2007

Structural Heterogeneity and Diffuse Scattering in Morphotropic Lead Zirconate-Titanate Single Crystals
journal, August 2012

Polarization Rotation via a Monoclinic Phase in the Piezoelectric 92% ${PbZn}_{1 / 3} {Nb}_{2 / 3} O_{3}$ -8% ${PbTiO}_{3}$
journal, April 2001

Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric
journal, April 2013

Raman Spectroscopy Applied to the Study of Phase Transitions
journal, February 1998

New High Temperature Morphotropic Phase Boundary Piezoelectrics Based on Bi(Me)O ₃ –PbTiO ₃ Ceramics
journal, October 2001

Preparation and Characterization of High Temperature Perovskite Ferroelectrics in the Solid-Solution (1- x )BiScO ₃ – x PbTiO ₃
journal, April 2002

Lead-free and lead-based $A B$ O $_{3}$ perovskite relaxors with mixed-valence $A$ -site and $B$ -site disorder: Comparative neutron scattering structural study of (Na $_{1 / 2}$ Bi $_{1 / 2}$ )TiO $_{3}$ and Pb(Mg $_{1 / 3}$ Nb $_{2 / 3}$ )O $_{3}$
journal, November 2013

Direct Observation of the Formation of Polar Nanoregions in $Pb ({Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3}$ Using Neutron Pair Distribution Function Analysis
journal, April 2005

Ferroelectric-relaxor crossover in $Ba ({Ti}_{1 - x} {Zr}_{x}) O_{3}$ studied using neutron total scattering measurements and reverse Monte Carlo modeling
journal, June 2010

Direct mapping of microscopic polarization in ferroelectric $x ({BiScO}_{3}) − (1 - x) ({PbTiO}_{3})$ throughout its morphotropic phase boundary
journal, February 2016

Local atomic structure deviation from average structure of Na $_{0.5}$ Bi $_{0.5}$ TiO $_{3}$ : Combined x-ray and neutron total scattering study
journal, March 2013

Nonmonotonic $T_{C}$ Trends in Bi-Based Ferroelectric Perovskite Solid Solutions
journal, January 2007

Correlations between tetragonality, polarization, and ionic displacement in ${PbTiO}_{3}$ -derived ferroelectric perovskite solid solutions
journal, October 2010

Crystal structure and cation off-centering in Bi(Mg $_{1 / 2}$ Ti $_{1 / 2}$ )O $_{3}$
journal, August 2012

Interplay between $A$ -site and $B$ -site driven instabilities in perovskites
journal, August 2005

Atomic sublattice decomposition of piezoelectric response in tetragonal $Pb Ti O_{3}$ , $Ba Ti O_{3}$ , and $K Nb O_{3}$
journal, March 2014

Mesoscopic-scale structure and dynamics near the morphotropic phase boundary of $(1 - x) {PbTiO}_{3} - x {BiScO}_{3}$
journal, July 2015

High-pressure phases in highly piezoelectric ${PbZr}_{0.52} {Ti}_{0.48} O_{3}$
journal, January 2004

Atomistic origin of huge response functions at the morphotropic phase boundary of $(1 - x) {Na}_{0.5} {Bi}_{0.5} {TiO}_{3} − x {BaTiO}_{3}$
journal, August 2014

Monoclinic and triclinic phases in higher-order Devonshire theory
journal, January 2001

Crystal Structure of Metastable Perovskite Bi(Mg1/2Ti1/2)O3: Bi-Based Structural Analogue of Antiferroelectric PbZrO3.
journal, January 2007

Structural state of relaxor ferroelectrics $PbSc_{0.5}Ta_{0.5}O_{3}$ and $PbSc_{0.5}Nb_{0.5}O_{3}$ at high pressures up to 30 GPa
text, January 2011

Structural heterogeneity and diffuse scattering in morphotropic lead zirconate-titanate single crystals
text, January 2012

Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric
text, January 2012

Monoclinic and triclinic phases in higher-order Devonshire theory
text, January 2000

Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary
text, January 2003

Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations
text, January 2005

A monoclinic ferroelectric phase in the Pb(Zr1-xTix)O3 solid solution
text, January 1999

Multistep coupling of preexisting local ferroic distortions in PbTiO ₃ above the Curie temperature
journal, October 2018