First-principles studies of the local structure and relaxor behavior of Pb(Mg1/3Nb2/3)O3-PbTiO3 -derived ferroelectric perovskite solid solutions

Tan, Hengxin; Takenaka, Hiroyuki; Xu, Changsong; Duan, Wenhui; Grinberg, Ilya; Rappe, Andrew M.

doi:10.1103/physrevb.97.174101

Title: First-principles studies of the local structure and relaxor behavior of ${Pb (Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3} - {PbTiO}_{3}$ -derived ferroelectric perovskite solid solutions

Journal Article · Tue May 01 00:00:00 EDT 2018 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.97.174101· OSTI ID:1540849

Tan, Hengxin; Takenaka, Hiroyuki; Xu, Changsong; Duan, Wenhui; Grinberg, Ilya; Rappe, Andrew M.

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Research Organization:: Univ. of Pennsylvania, Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FG02-07ER46431

OSTI ID:: 1540849

Journal Information:: Physical Review B, Vol. 97, Issue 17; ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (73)

The giant electromechanical response in ferroelectric relaxors as a critical phenomenon Kutnjak, Z.; Petzelt, J.; Blinc, R. Nature, Vol. 441, Issue 7096 https://doi.org/10.1038/nature04854	journal	June 2006
Ferroelectric properties of monoclinic $Pb ({Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3} - {PbTiO}_{3}$ crystals Bokov, A. A.; Ye, Z. -G. Physical Review B, Vol. 66, Issue 9 https://doi.org/10.1103/PhysRevB.66.094112	journal	September 2002
Dielectric Properties of the Perovskite System Pb(Mg1/3Nb2/3)O3-PbTiO3 Modified by Pb(Mg1/3Ta2/3)O3 and Pb(Zn1/3Nb2/3)O3 Suh, Dong-Hwan; Lee, Dong-Ha; Kim, Nam-Kyoung Journal of the American Ceramic Society, Vol. 84, Issue 6 https://doi.org/10.1111/j.1151-2916.2001.tb00829.x	journal	June 2001
Phase transformation, improved ferroelectric and magnetic properties of (1 − x) BiFeO ₃ –xPb(Zr _0.52 Ti _0.48 )O ₃ solid solutions Sharma, Subhash; Singh, Vikash; Dwivedi, R. K. Journal of Applied Physics, Vol. 115, Issue 22 https://doi.org/10.1063/1.4882067	journal	June 2014
Freezing of dipole dynamics in relaxor ferroelectric Pb(Mg _1/3 Nb _2/3 )O ₃ -PbTiO ₃ as evidenced by dielectric spectroscopy Bokov, A. A.; Ye, Z-G; Bokov, A. A. Journal of Physics: Condensed Matter, Vol. 12, Issue 34 https://doi.org/10.1088/0953-8984/12/34/101	journal	August 2000
Electrocaloric and pyroelectric properties of 0.75Pb(Mg1∕3Nb2∕3)O3–0.25PbTiO3 single crystals Sebald, Gael; Seveyrat, Laurence; Guyomar, Daniel Journal of Applied Physics, Vol. 100, Issue 12 https://doi.org/10.1063/1.2407271	journal	December 2006
Dielectric anomalies of the relaxor-based 0.9Pb(Mg1∕3Nb2∕3)O3‐0.1PbTiO3 single crystals Wang, Haixia; Xu, Haiqing; Luo, Haosu Applied Physics Letters, Vol. 87, Issue 1 https://doi.org/10.1063/1.1990253	journal	July 2005
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
Vogel-Fulcher freezing in relaxor ferroelectrics Pirc, R.; Blinc, R. Physical Review B, Vol. 76, Issue 2 https://doi.org/10.1103/PhysRevB.76.020101	journal	July 2007
Dielectric dispersion and critical behavior in relaxor ferroelectric Pb(Mg[sub 1/3]Nb[sub 2/3])O[sub 3]–PbTiO[sub 3] Bokov, A. A.; Ye, Z. -G. Applied Physics Letters, Vol. 77, Issue 12 https://doi.org/10.1063/1.1310629	journal	January 2000
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Dielectric Relaxation in Relaxor Ferroelectrics Bokov, Alexei A.; Ye, Zuo-Guang Journal of Advanced Dielectrics, Vol. 02, Issue 02 https://doi.org/10.1142/S2010135X1241010X	journal	April 2012
Influence of Cation Order on the Dielectric Properties of Pb(Mg _1/3 Nb _2/3 )O ₃ -Pb(Sc _1/2 Nb _1/2 )O ₃ (PMN-PSN) Relaxor Ferroelectrics Farber, Leon; Davies, Peter Journal of the American Ceramic Society, Vol. 86, Issue 11 https://doi.org/10.1111/j.1151-2916.2003.tb03573.x	journal	November 2003
Phase transition behaviour and enhanced electromechanical properties in Sr modified 0.65PbMg _1/3 Nb _2/3 O ₃ –0.35PbTiO ₃ ceramics Cao, Zhenzhu; Li, Guorong; Zeng, Jiangtao Journal of Physics D: Applied Physics, Vol. 43, Issue 1 https://doi.org/10.1088/0022-3727/43/1/015405	journal	December 2009
Elastic, piezoelectric, and dielectric properties of multidomain 0.67Pb(Mg1/3Nb2/3)O3–0.33PbTiO3 single crystals Zhang, Rui; Jiang, Bei; Cao, Wenwu Journal of Applied Physics, Vol. 90, Issue 7 https://doi.org/10.1063/1.1390494	journal	October 2001
Structure and dielectric relaxation behavior near the MPB for Pb(Mg1/3Nb2/3)O3–Pb(Ni1/3Nb2/3)O3–PbTiO3 ferroelectric ceramics Lei, Chao; Chen, Kepi; Zhang, Xiaowen Materials Science and Engineering: B, Vol. 111, Issue 2-3 https://doi.org/10.1016/j.mseb.2004.03.020	journal	August 2004
Recent Developments in the Methods and Applications of the Bond Valence Model Brown, Ian David Chemical Reviews, Vol. 109, Issue 12 https://doi.org/10.1021/cr900053k	journal	December 2009
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
A Re-investigation of the Crystal Structure of the Perovskite PbZrO3 by X-ray and Neutron Diffraction Corker, D. L.; Glazer, A. M.; Dec, J. Acta Crystallographica Section B Structural Science, Vol. 53, Issue 1 https://doi.org/10.1107/S0108768196012414	journal	February 1997
Enhanced electromechanical properties and phase transition temperatures in [001] textured Pb(In _1/2 Nb _1/2 )O ₃ -Pb(Mg _1/3 Nb _2/3 )O ₃ -PbTiO ₃ ternary ceramics Chang, Yunfei; Wu, Jie; Sun, Yuan Applied Physics Letters, Vol. 107, Issue 8 https://doi.org/10.1063/1.4929688	journal	August 2015
Computational Studies of Lead-based Relaxor Ferroelectrics Takenaka, Hiroyuki; Grinberg, Ilya; Shin, Young-Han Ferroelectrics, Vol. 469, Issue 1 https://doi.org/10.1080/00150193.2014.948341	journal	September 2014
Preparation, structure and piezoelectric properties of PZN-PMN-PT ceramics in the composition range of large PZN concentrations Reznitchenko, L. A.; Verbenko, I. A.; Razumovskaya, O. N. Ceramics International, Vol. 38, Issue 5 https://doi.org/10.1016/j.ceramint.2012.01.033	journal	July 2012
Local structure and macroscopic properties in $Pb {Mg}_{1 ∕ 3} {Nb}_{2 ∕ 3} O_{3} - Pb Ti O_{3}$ and $Pb {Zn}_{1 ∕ 3} {Nb}_{2 ∕ 3} O_{3} - Pb Ti O_{3}$ solid solutions Grinberg, Ilya; Rappe, Andrew M. Physical Review B, Vol. 70, Issue 22 https://doi.org/10.1103/PhysRevB.70.220101	journal	December 2004
Origin of ferroelectricity in perovskite oxides Cohen, Ronald E. Nature, Vol. 358, Issue 6382 https://doi.org/10.1038/358136a0	journal	July 1992
Double freezing of dielectric response in relaxor $Pb ({Mg}_{1 ∕ 3} {Nb}_{2 ∕ 3}) O_{3}$ crystals Bokov, A. A.; Ye, Z. -G. Physical Review B, Vol. 74, Issue 13 https://doi.org/10.1103/PhysRevB.74.132102	journal	October 2006
Anomalous properties of antiferroelectric ${PbZrO}_{3}$ under hydrostatic pressure Prosandeev, S.; Xu, Changsong; Faye, R. Physical Review B, Vol. 89, Issue 21 https://doi.org/10.1103/PhysRevB.89.214111	journal	June 2014
Ferroelectric properties of PZT/BFO multilayer thin films prepared using the sol-gel method Jo, Seo-Hyeon; Lee, Sung-Gap; Lee, Young-Hie Nanoscale Research Letters, Vol. 7, Issue 1 https://doi.org/10.1186/1556-276X-7-54	journal	January 2012
Brillouin and dielectric studies of the phase transition in the relaxor ferroelectric Pb(Ni1/3Nb2/3)O3 Fan, H. J.; Kuok, M. H.; Ng, S. C. Journal of Applied Physics, Vol. 91, Issue 4 https://doi.org/10.1063/1.1433183	journal	February 2002
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo Nature Chemistry, Vol. 8, Issue 9 https://doi.org/10.1038/nchem.2535	journal	June 2016
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides Bilc, D. I.; Orlando, R.; Shaltaf, R. Physical Review B, Vol. 77, Issue 16 https://doi.org/10.1103/PhysRevB.77.165107	journal	April 2008
Relationship between Local Structure and Relaxor Behavior in Perovskite Oxides Grinberg, Ilya; Juhás, Pavol; Davies, Peter K. Physical Review Letters, Vol. 99, Issue 26 https://doi.org/10.1103/PhysRevLett.99.267603	journal	December 2007
Hubbard $U$ and Hund exchange $J$ in transition metal oxides: Screening versus localization trends from constrained random phase approximation Vaugier, Loïg; Jiang, Hong; Biermann, Silke Physical Review B, Vol. 86, Issue 16 https://doi.org/10.1103/PhysRevB.86.165105	journal	October 2012
Investigation of relaxors that transform spontaneously into ferroelectrics Chu, F.; Reaney, I. M.; Setter, N. Ferroelectrics, Vol. 151, Issue 1 https://doi.org/10.1080/00150199408244759	journal	January 1994
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
Domain structure and evolution in (PbMg1∕3Nb2∕3O3)0.75(PbTiO3)0.25 single crystal studied by temperature-dependent piezoresponse force microscopy Zhao, X.; Dai, J. Y.; Wang, J. Journal of Applied Physics, Vol. 97, Issue 9 https://doi.org/10.1063/1.1890454	journal	May 2005
Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric Takenaka, Hiroyuki; Grinberg, Ilya; Rappe, Andrew M. Physical Review Letters, Vol. 110, Issue 14 https://doi.org/10.1103/PhysRevLett.110.147602	journal	April 2013
Origin of morphotropic phase boundaries in ferroelectrics Ahart, Muhtar; Somayazulu, Maddury; Cohen, R. E. Nature, Vol. 451, Issue 7178 https://doi.org/10.1038/nature06459	journal	January 2008
Optical properties of (1-x)Pb(Mg1∕3Nb2∕3)O3-xPbTiO3 single crystals studied by spectroscopic ellipsometry Wan, Xinming; Chan, H. L. W.; Choy, C. L. Journal of Applied Physics, Vol. 96, Issue 3 https://doi.org/10.1063/1.1767287	journal	August 2004
High performance ferroelectric relaxor-PbTiO ₃ single crystals: Status and perspective Zhang, Shujun; Li, Fei Journal of Applied Physics, Vol. 111, Issue 3 https://doi.org/10.1063/1.3679521	journal	February 2012
Mn-doped 0.71Pb(Mg1∕3Nb2∕3)O3–0.29PbTiO3 pyroelectric crystals for uncooled infrared focal plane arrays applications Tang, Yanxue; Luo, Laihui; Jia, Yanmin Applied Physics Letters, Vol. 89, Issue 16 https://doi.org/10.1063/1.2363149	journal	October 2006
Effect of PMN modification on structure and electrical response of xPMN–(1−x)PZT ceramic systems Koval, V. Journal of the European Ceramic Society, Vol. 23, Issue 7 https://doi.org/10.1016/S0955-2219(02)00281-9	journal	June 2003
Correlations between tetragonality, polarization, and ionic displacement in ${PbTiO}_{3}$ -derived ferroelectric perovskite solid solutions Qi, Tingting; Grinberg, Ilya; Rappe, Andrew M. Physical Review B, Vol. 82, Issue 13 https://doi.org/10.1103/PhysRevB.82.134113	journal	October 2010
Phase transition and temperature stability of piezoelectric properties in Mn-modified Pb(Mg _1/3 Nb _2/3 )O ₃ -PbZrO ₃ -PbTiO ₃ ceramics Yan, Yongke; Kumar, Ashok; Correa, Margarita Applied Physics Letters, Vol. 100, Issue 15 https://doi.org/10.1063/1.3703124	journal	April 2012
Enhanced dielectric, ferroelectric, and electrostrictive properties of Pb(Mg _1/3 Nb _2/3 ) _0.9 Ti _0.1 O ₃ ceramics by ZnO modification Promsawat, Methee; Watcharapasorn, Anucha; Tailor, Hamel N. Journal of Applied Physics, Vol. 113, Issue 20 https://doi.org/10.1063/1.4801881	journal	May 2013
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations Grinberg, Ilya; Suchomel, Matthew R.; Davies, Peter K. Journal of Applied Physics, Vol. 98, Issue 9 https://doi.org/10.1063/1.2128049	journal	November 2005
Die Gesetze der Krystallochemie Goldschmidt, V. M. Die Naturwissenschaften, Vol. 14, Issue 21 https://doi.org/10.1007/BF01507527	journal	May 1926
Oxide chemistry and local structure of PbZrxTi1-xO3 studied by density-functional theory supercell calculations Grinberg, Ilya; Cooper, Valentino; Rappe, Andrew Physical Review B, Vol. 69, Issue 14 https://doi.org/10.1103/PhysRevB.69.144118	journal	April 2004
Study of the structure and electrical properties of PMN-PNN-PT ceramics near the morphotropic phase boundary Chen, Yu; Zhang, Xiaowen; Pan, Jingsong Journal of Electroceramics, Vol. 16, Issue 2 https://doi.org/10.1007/s10832-006-3610-y	journal	March 2006
Mechanochemical Synthesis of 0.9[0.6Pb(Zn ₁₃ Nb ₂₃ )O ₃ 0.4Pb(Mg ₁₃ Nb ₂₃ )O ₃ ]0.1PbTiO ₃ Wan, Dongmei; Xue, Junmin; Wang, John Journal of the American Ceramic Society, Vol. 83, Issue 1 https://doi.org/10.1111/j.1151-2916.2000.tb01147.x	journal	January 2000
Designed nonlocal pseudopotentials for enhanced transferability Ramer, Nicholas J.; Rappe, Andrew M. Physical Review B, Vol. 59, Issue 19 https://doi.org/10.1103/PhysRevB.59.12471	journal	May 1999
Vogel-Fulcher relationship for the dielectric permittivity of relaxor ferroelectrics Tagantsev, A. K. Physical Review Letters, Vol. 72, Issue 7 https://doi.org/10.1103/PhysRevLett.72.1100	journal	February 1994
First-principles based atomistic modeling of phase stability in PMN– x PT Sepliarsky, M.; Cohen, R. E. Journal of Physics: Condensed Matter, Vol. 23, Issue 43 https://doi.org/10.1088/0953-8984/23/43/435902	journal	October 2011
First-principles study of spontaneous polarization in multiferroic $Bi Fe O_{3}$ Neaton, J. B.; Ederer, C.; Waghmare, U. V. Physical Review B, Vol. 71, Issue 1 https://doi.org/10.1103/PhysRevB.71.014113	journal	January 2005
Growth and pyroelectric property of 0.2 mol % Fe-doped Pb(Mg1/3Nb2/3)O3-0.38PbTiO3 single crystals measured by a dynamic technique Wan, Xinming; Tang, Xingui; Wang, Jie Applied Physics Letters, Vol. 84, Issue 23 https://doi.org/10.1063/1.1762982	journal	June 2004
Band theory and Mott insulators: Hubbard U instead of Stoner I Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K. Physical Review B, Vol. 44, Issue 3, p. 943-954 https://doi.org/10.1103/PhysRevB.44.943	journal	July 1991
Temperature-induced and electric-field-induced phase transitions in rhombohedral ${Pb (In}_{1 / 2} {Nb}_{1 / 2}) O_{3} − {Pb (Mg}_{1 / 3} {Nb}_{2 / 3} {) O}_{3} − {PbTiO}_{3}$ ternary single crystals Wang, Yaojin; Wang, Zhiguang; Ge, Wenwei Physical Review B, Vol. 90, Issue 13 https://doi.org/10.1103/PhysRevB.90.134107	journal	October 2014
First-principles predictions of low-energy phases of multiferroic BiFeO $_{3}$ Diéguez, Oswaldo; González-Vázquez, O. E.; Wojdeł, Jacek C. Physical Review B, Vol. 83, Issue 9 https://doi.org/10.1103/PhysRevB.83.094105	journal	March 2011
Strong magnetoelectric coupling in multiferroic BiFeO3–Pb(Zr0.52Ti0.48)O3 composite films derived from electrophoretic deposition Wu, Yujie; Wan, Jian-guo; Huang, Chuanfu Applied Physics Letters, Vol. 93, Issue 19 https://doi.org/10.1063/1.3028089	journal	November 2008
Phases and domain structures in tungsten-doped Pb(Mg1∕3Nb2∕3)1−xTixO3 (x=0.35) crystal Wang, F. -T.; Tu, C. -S.; Chien, R. R. Journal of Applied Physics, Vol. 101, Issue 11 https://doi.org/10.1063/1.2743732	journal	June 2007
Dielectric properties of (PMN)(1−x)(PT)x single crystals for various electrical and thermal histories Colla, Eugene V.; Yushin, Nikolai K.; Viehland, Dwight Journal of Applied Physics, Vol. 83, Issue 6 https://doi.org/10.1063/1.367098	journal	March 1998
Piezoelectric Properties of Pb(Mg1/3Nb2/3)O3-PbTiO3-PbZrO3 Solid Solution Ceramics Ouchi, Hiromu; Nagano, Katsuo; Hayakawa, Shigeru Journal of the American Ceramic Society, Vol. 48, Issue 12 https://doi.org/10.1111/j.1151-2916.1965.tb14694.x	journal	December 1965
Macroscopic and local piezoelectric properties of Pb(Mg _1/3 Nb _2/3 )O ₃ -PbTiO ₃ single crystals exhibiting giant piezoelectric response Shvartsman, V. V.; Kholkin, A. L.; Raevski, I. P. Journal of Applied Physics, Vol. 113, Issue 18 https://doi.org/10.1063/1.4801964	journal	May 2013
Dielectric and piezoelectric properties of the thermally annealed Pb(Zn,Mg) _1/3 Nb _2/3 O ₃ –PbTiO ₃ system across the rhombohedral/tetragonal morphotropic phase boundary Jang, Hyun M.; Lee, Kyu-Mann Journal of Materials Research, Vol. 10, Issue 12 https://doi.org/10.1557/JMR.1995.3185	journal	December 1995
Chemical order in PMN-related relaxors: structure, stability, modification, and impact on properties Davies, P. K.; Akbas, M. A. Journal of Physics and Chemistry of Solids, Vol. 61, Issue 2 https://doi.org/10.1016/S0022-3697(99)00275-9	journal	February 2000
Local domain engineering in relaxor 0.77PbMg _1/3 Nb _2/3 O ₃ -0.23PbSc _1/2 Nb _1/2 O ₃ single crystals Bdikin, I. K.; Grácio, J.; Kiselev, D. A. Journal of Applied Physics, Vol. 110, Issue 5 https://doi.org/10.1063/1.3624812	journal	September 2011
Optimized pseudopotentials Rappe, Andrew M.; Rabe, Karin M.; Kaxiras, Efthimios Physical Review B, Vol. 41, Issue 2 https://doi.org/10.1103/PhysRevB.41.1227	journal	January 1990
Electric field dependence of piezoelectric properties for rhombohedral 0.955Pb(Zn1/3Nb2/3)O3– 0.045PbTiO3 single crystals Liu, Shi-Fang; Park, Seung-Eek; Shrout, Thomas R. Journal of Applied Physics, Vol. 85, Issue 5 https://doi.org/10.1063/1.369599	journal	March 1999
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
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides Bilc, D. I.; Orlando, R.; Shaltaf, R. arXiv https://doi.org/10.48550/arxiv.0805.0753	text	January 2008
Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric Takenaka, Hiroyuki; Grinberg, Ilya; Rappe, Andrew M. arXiv https://doi.org/10.48550/arxiv.1212.0867	text	January 2012
Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations Grinberg, Ilya; Suchomel, Matthew R.; Davies, P. K. arXiv https://doi.org/10.48550/arxiv.cond-mat/0509424	text	January 2005
Designed nonlocal pseudopotentials for enhanced transferability Ramer, Nicholas J.; Rappe, Andrew M. arXiv https://doi.org/10.48550/arxiv.cond-mat/9711163	preprint	January 1997

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High thermal stability of piezoelectric properties in tetragonal Pb(In _1/3 Nb _2/3 )O ₃ -PbTiO ₃ single crystal Deng, Chenguang; He, Chongjun; Chen, Ziyun Journal of Applied Physics, Vol. 126, Issue 8 https://doi.org/10.1063/1.5097916	journal	August 2019
Perpendicular magnetic anisotropy modulated by interfacial magnetoelectric coupling in Fe ₄ N/0.75Pb(Mg _1/3 Nb _2/3 )O ₃ -0.25PbTiO ₃ multiferroic heterostructures Li, Zirun; Mi, Wenbo; Bai, Haili Journal of Physics D: Applied Physics, Vol. 52, Issue 33 https://doi.org/10.1088/1361-6463/ab1c45	journal	June 2019
Structural and electrical properties of ZnO‐modified (1− x )Pb(Mg _1/3 Nb _2/3 )O ₃ − x PbTiO ₃ ceramics with wide MPB regions Zhang, Ji; Wang, Rui‐Xue; Sun, Lei Journal of the American Ceramic Society https://doi.org/10.1111/jace.16081	journal	September 2018

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Title: First-principles studies of the local structure and relaxor behavior of ${Pb (Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3} - {PbTiO}_{3}$ -derived ferroelectric perovskite solid solutions