Enhanced ferroelectric and piezoelectric properties of BCT-BZT at the morphotropic phase boundary driven by the coexistence of phases with different symmetries

Dash, Smaranika; Pradhan, Dhiren K.; Kumari, Shalini; Ravikant, None; Rahaman, Md. Mijanur; Cazorla, C.; Brajesh, Kumar; Kumar, Ashok; Thomas, Reji; Rack, Philip D.; Pradhan, Dillip K.

doi:10.1103/physrevb.104.224105

Enhanced ferroelectric and piezoelectric properties of BCT-BZT at the morphotropic phase boundary driven by the coexistence of phases with different symmetries

Journal Article · Wed Dec 15 23:00:00 EST 2021 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.104.224105· OSTI ID:1844857

^[1]; Pradhan, Dhiren K. ^[2]; Kumari, Shalini ^[3]; Ravikant ^[4]; ^[5]; ^[6]; Brajesh, Kumar ^[7]; Kumar, Ashok ^[8]; ^[9]; ^[2]; ^[1]

National Institute of Technology, Rourkela (India)
Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Pennsylvania State Univ., University Park, PA (United States)
Vikram University, Ujjain, Madhya Pradesh (India)
University of Rajshahi (Bangladesh)
Universitat Politècnica de Catalunya, Barcelona (Spain)
Indian Inst. of Technology (IIT), Kanpur (India)
CSIR-National Physical Laboratory, New Delhi (India); Academy of Scientific and Innovative Research (AcSIR), Ghaziabad (India)
Lovely Professional University, Phagwara, Punjab (India)

The discovery of lead-free piezoelectric materials is crucial for future information and energy storage applications. Enhanced piezoelectric and other physical properties are commonly observed near the morphotropic phase boundary (MPB) composition of ferroelectric solid solutions. The (1 – x)Ba(Zr_0.2Ti_0.8)O₃-x(Ba0.7Ca0.3)TiO₃ (BZT-xBCT) system exhibits a large electromechanical response around its MPB region at x = 0.5. Here, we report experimental and theoretical results of BZT-xBCT over a wide composition range (0.3 ≤ x ≤ 1.0). X-ray diffraction and Raman spectroscopy studies indicate a composition-induced structural phase transition from a rhombohedral (R3m) phase at x ≤ 0.4 to a tetragonal (P4mm) phase at x ≥ 0.6 through a multiphase coexistence region at 0.45 ≤ x ≤ 0.55 involving orthorhombic + tetragonal (Amm2 + P4mm) phases. First-principles calculations elucidate the phase competition in the coexistence region. The critical composition (x = 0.5) displays enhanced dielectric, ferroelectric, and piezoelectric properties, where notably d₃₃ ~ 320 pC/N. This paper provides clear evidence of Amm2+P4mm crystallographic phases in the MPB region, which is responsible for the improved functional properties.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725; SC0002136

OSTI ID:: 1844857

Alternate ID(s):: OSTI ID: 1867225

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 22 Vol. 104; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (109)

Raman spectral studies of Zr ⁴⁺ -rich BaZr _x Ti _{1− x} O ₃ (0.5⩽ x ⩽1.00) phase diagram: Raman spectral studies of Zr ⁴⁺ -rich BaZr _x Ti _{1− x} O ₃ Karan, N. K.; Katiyar, R. S.; Maiti, T. Journal of Raman Spectroscopy, Vol. 40, Issue 4 https://doi.org/10.1002/jrs.2134	journal	December 2008
Electrical and mechanical properties of MgO added 0.5Ba(Zr0.2Ti0.8)O3–0.5(Ba0.7Ca0.3)TiO3 (BZT–0.5BCT) composite ceramics Adhikari, P.; Mazumder, R.; Abhinay, S. Journal of Electroceramics, Vol. 37, Issue 1-4 https://doi.org/10.1007/s10832-016-0049-7	journal	July 2016
Enhanced thermal stability of lead-free (1-x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 ferroelectric ceramics Yang, Yang; Wang, Wentao; Chen, Xiaorui Journal of Materials Science, Vol. 55, Issue 36 https://doi.org/10.1007/s10853-020-05206-0	journal	September 2020
Sintering dependent Ca2+ solubility in barium titanate synthesized by sol–gel auto combustion method Dash, Smaranika; Mohanty, Hari Sankar; Bhoi, Krishnamayee Journal of Materials Science: Materials in Electronics, Vol. 29, Issue 24 https://doi.org/10.1007/s10854-018-0224-5	journal	October 2018
Investigation of Rhombohedral-to-Tetragonal Phase Transition in 0.5Ba(Ti0.8Zr0.2)-0.5(Ba0.7Ca0.3)TiO3 Lead-Free Ferroelectric Using Micro-Raman Scattering Singh, Gurvinderjit; Sathe, Vasant; Tiwari, V. S. Journal of Electronic Materials, Vol. 46, Issue 8 https://doi.org/10.1007/s11664-017-5512-y	journal	April 2017
Raman scattering by polaritons in tetragonal BaTiO3 Pinczuk, A.; Burstein, E.; Ushioda, S. Solid State Communications, Vol. 7, Issue 1 https://doi.org/10.1016/0038-1098(69)90711-X	journal	January 1969
Raman scattering in the ferroelectric system Pb1−xBaxTiO3 Burns, Gerald; Scott, Bruce A. Solid State Communications, Vol. 9, Issue 11 https://doi.org/10.1016/0038-1098(71)90570-9	journal	June 1971
Underdamped soft phonon in orthorhombic BaTiO3 Laabidi, K.; Fontana, M. D.; Jannot, B. Solid State Communications, Vol. 76, Issue 6 https://doi.org/10.1016/0038-1098(90)90623-J	journal	November 1990
Raman spectroscopy of Mg-Ta order-disorder in Siny, I. G.; Tao, Ruiwu; Katiyar, R. S. Journal of Physics and Chemistry of Solids, Vol. 59, Issue 2 https://doi.org/10.1016/S0022-3697(97)00154-6	journal	February 1998
Phase developments and dielectric/ferroelectric responses in the PMN–PT system Suh, Dong-Hwan; Lee, Dong-Ha; Kim, Nam-Kyoung Journal of the European Ceramic Society, Vol. 22, Issue 2 https://doi.org/10.1016/S0955-2219(01)00278-3	journal	February 2002
Structure and high-piezoelectricity in lead oxide solid solutions Noheda, B. Current Opinion in Solid State and Materials Science, Vol. 6, Issue 1 https://doi.org/10.1016/S1359-0286(02)00015-3	journal	February 2002
Diffuse phase transition and dielectric tunability of Ba(ZryTi1−y)O3 relaxor ferroelectric ceramics Tang, X. G.; Chew, K. -H.; Chan, H. L. W. Acta Materialia, Vol. 52, Issue 17 https://doi.org/10.1016/j.actamat.2004.07.028	journal	October 2004
Structural and dielectric properties in the (Ba1−xCax)(Ti0.95Zr0.05)O3 ceramics Li, Wei; Xu, Zhijun; Chu, Ruiqing Current Applied Physics, Vol. 12, Issue 3 https://doi.org/10.1016/j.cap.2011.10.013	journal	May 2012
Correlation between structural, ferroelectric, piezoelectric and dielectric properties of Ba0.7Ca0.3TiO3-xBaTi0.8Zr0.2O3 (x = 0.45, 0.55) ceramics Keswani, Bhavna C.; Patil, S. I.; James, A. R. Ceramics International, Vol. 44, Issue 17 https://doi.org/10.1016/j.ceramint.2018.06.115	journal	December 2018
Composition-dependent xBa(Zr0.2Ti0.8)O3-(1-x)(Ba0.7Ca0.3)TiO3 bulk ceramics for high energy storage applications Jayakrishnan, A. R.; Alex, Kevin V.; Thomas, Athul Ceramics International, Vol. 45, Issue 5 https://doi.org/10.1016/j.ceramint.2018.11.250	journal	April 2019
Sequence of structural transitions and electrocaloric properties in (Ba1-xCax)(Zr0.1Ti0.9)O3 ceramics Kaddoussi, H.; Lahmar, A.; Gagou, Y. Journal of Alloys and Compounds, Vol. 713 https://doi.org/10.1016/j.jallcom.2017.04.148	journal	August 2017
Ferroelectric phase transition of Li-doped KTa1-Nb O3 single crystals with weak random fields: Inelastic light scattering study Rahaman, Md. Mijanur; Imai, Tadayuki; Sakamoto, Tadashi Journal of Alloys and Compounds, Vol. 735 https://doi.org/10.1016/j.jallcom.2017.11.039	journal	February 2018
Assessment of the functional properties stability in (Ba0.85Ca0.15)(Zr0.1Ti0.9)O3 piezoceramics: Huge dielectric and piezoelectric nonlinearity Ochoa, Diego A.; Reyes-Montero, Armando; Suñol, Francesc Journal of Alloys and Compounds, Vol. 774 https://doi.org/10.1016/j.jallcom.2018.10.060	journal	February 2019
Optimizing electrical poling for tetragonal, lead-free BZT–BCT piezoceramic alloys Li, Binzhi; Ehmke, Matthias C.; Blendell, John E. Journal of the European Ceramic Society, Vol. 33, Issue 15-16 https://doi.org/10.1016/j.jeurceramsoc.2013.05.032	journal	December 2013
Effect of poling process on piezoelectric properties of sol–gel derived BZT–BCT ceramics Praveen, J. Paul; Karthik, T.; James, A. R. Journal of the European Ceramic Society, Vol. 35, Issue 6 https://doi.org/10.1016/j.jeurceramsoc.2014.12.010	journal	June 2015
Structure, dielectric tunability, thermal stability and diffuse phase transition behavior of lead free BZT–BCT ceramic capacitors Sreenivas Puli, Venkata; Pradhan, Dhiren K.; Pérez, W. Journal of Physics and Chemistry of Solids, Vol. 74, Issue 3 https://doi.org/10.1016/j.jpcs.2012.11.012	journal	March 2013
Crystal structure of dense nanocrystalline BaTiO3 ceramics Xiao, C. J.; Jin, C. Q.; Wang, X. H. Materials Chemistry and Physics, Vol. 111, Issue 2-3 https://doi.org/10.1016/j.matchemphys.2008.01.020	journal	October 2008
Structure and ferroelectric studies of (Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 piezoelectric ceramics E., Venkata Ramana; Mahajan, A.; Graça, M. P. F. Materials Research Bulletin, Vol. 48, Issue 10 https://doi.org/10.1016/j.materresbull.2013.05.108	journal	October 2013
Impact of fast microwave sintering on the grain growth, dielectric relaxation and piezoelectric properties on Ba0.18Ca0.02Ti0.09Zr0.10O3 lead-free ceramics prepared by different methods Sun, Zixiong; Pu, Yongping; Dong, Zijing Materials Science and Engineering: B, Vol. 185 https://doi.org/10.1016/j.mseb.2014.02.016	journal	July 2014
Polymorphic phase transition and piezoelectric properties of (Ba1−xCax)(Ti0.9Zr0.1)O3 lead-free ceramics Li, Wei; Xu, Zhijun; Chu, Ruiqing Physica B: Condensed Matter, Vol. 405, Issue 21 https://doi.org/10.1016/j.physb.2010.08.028	journal	November 2010
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
Lead-free piezoceramics Saito, Yasuyoshi; Takao, Hisaaki; Tani, Toshihiko Nature, Vol. 432, Issue 7013 https://doi.org/10.1038/nature03028	journal	October 2004
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
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
Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3 Nahas, Yousra; Akbarzadeh, Alireza; Prokhorenko, Sergei Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15944	journal	June 2017
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
Ferroelectric domain wall motion induced by polarized light Rubio-Marcos, Fernando; Del Campo, Adolfo; Marchet, Pascal Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7594	journal	March 2015
Domain switching in polycrystalline ferroelectric ceramics Li, J. Y.; Rogan, R. C.; Üstündag, E. Nature Materials, Vol. 4, Issue 10 https://doi.org/10.1038/nmat1485	journal	September 2005
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
Fano resonance of Li-doped KTa1−xNbxO3 single crystals studied by Raman scattering Rahaman, M. M.; Imai, T.; Sakamoto, T. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep23898	journal	April 2016
Electric field effect on the microstructure and properties of Ba _0.9 Ca _0.1 Ti _0.9 Zr _0.1 O ₃ (BCTZ) lead-free ceramics Reyes-Montero, A.; Rubio-Marcos, F.; Pardo, L. Journal of Materials Chemistry A, Vol. 6, Issue 13 https://doi.org/10.1039/C7TA09798K	journal	January 2018
Ferroic phase transitions and magnetoelectric coupling in cobalt doped BaTiO ₃ Pradhan, Dhiren K.; Mohanty, Hari Sankar; Kumari, Shalini Journal of Materials Chemistry C, Vol. 9, Issue 37 https://doi.org/10.1039/D1TC02961D	journal	January 2021
Observation of Fano asymmetry in Raman spectra of SrTiO3 and CaxSr1−xTiO3 perovskite nanocubes Banerjee, Sarbajit; Kim, Dae-In; Robinson, Richard D. Applied Physics Letters, Vol. 89, Issue 22 https://doi.org/10.1063/1.2400095	journal	November 2006
Effects of Na nonstoichiometry in (Bi0.5Na0.5+x)TiO3 ceramics Sung, Y. S.; Kim, J. M.; Cho, J. H. Applied Physics Letters, Vol. 96, Issue 2 https://doi.org/10.1063/1.3275704	journal	January 2010
A morphotropic phase boundary system based on polarization rotation and polarization extension Damjanovic, Dragan Applied Physics Letters, Vol. 97, Issue 6 https://doi.org/10.1063/1.3479479	journal	August 2010
Structural, optical and magnetic properties of polycrystalline BaTi _1−x Fe _x O ₃ ceramics Dang, N. V.; Thanh, T. D.; Hong, L. V. Journal of Applied Physics, Vol. 110, Issue 4 https://doi.org/10.1063/1.3625235	journal	August 2011
Phase coexistence and ferroelastic texture in high strain (1−x)Ba(Zr _0.2 Ti _0.8 )O ₃ –x(Ba _0.7 Ca _0.3 )TiO ₃ piezoceramics Ehmke, Matthias C.; Ehrlich, Steven N.; Blendell, John E. Journal of Applied Physics, Vol. 111, Issue 12 https://doi.org/10.1063/1.4730342	journal	June 2012
The atomic structure of lead-free Ba(Zr _0.2 Ti _0.8 )O ₃ -(Ba _0.7 Ca _0.3 )TiO ₃ by using neutron total scattering analysis Jeong, I. -K.; Ahn, J. S. Applied Physics Letters, Vol. 101, Issue 24 https://doi.org/10.1063/1.4770297	journal	December 2012
Structure and phase transitions in 0.5(Ba _0.7 Ca _0.3 TiO ₃ )-0.5(BaZr _0.2 Ti _0.8 O ₃ ) from −100 °C to 150 °C Bjørnetun Haugen, Astri; Forrester, Jennifer S.; Damjanovic, Dragan Journal of Applied Physics, Vol. 113, Issue 1 https://doi.org/10.1063/1.4772741	journal	January 2013
Revised structural phase diagram of (Ba _0.7 Ca _0.3 TiO ₃ )-(BaZr _0.2 Ti _0.8 O ₃ ) Keeble, Dean S.; Benabdallah, Feres; Thomas, Pam A. Applied Physics Letters, Vol. 102, Issue 9 https://doi.org/10.1063/1.4793400	journal	March 2013
Phase transition behavior and electrical properties of lead-free (Ba _1−x Ca _x )(Zr _0.1 Ti _0.9 )O ₃ piezoelectric ceramics Tian, Ye; Chao, Xiaolian; Wei, Lingling Journal of Applied Physics, Vol. 113, Issue 18 https://doi.org/10.1063/1.4804173	journal	May 2013
Synthesis and characterization of lead-free 0.5Ba(Zr _0.2 Ti _0.8 )O ₃ -0.5(Ba _0.7 Ca _0.3 )TiO ₃ ceramic Coondoo, Indrani; Panwar, Neeraj; Amorín, Harvey Journal of Applied Physics, Vol. 113, Issue 21 https://doi.org/10.1063/1.4808338	journal	June 2013
Effect of Zr substitution on phase transformation and dielectric properties of Ba _0.9 Ca _0.1 TiO ₃ ceramics Sindhu, Monica; Ahlawat, Neetu; Sanghi, Sujata Journal of Applied Physics, Vol. 114, Issue 16 https://doi.org/10.1063/1.4825123	journal	October 2013
Symmetry determination on Pb-free piezoceramic 0.5Ba(Zr _0.2 Ti _0.8 )O ₃ -0.5(Ba _0.7 Ca _0.3 )TiO ₃ using convergent beam electron diffraction method Gao, Jinghui; Zhang, Lixue; Xue, Dezhen Journal of Applied Physics, Vol. 115, Issue 5 https://doi.org/10.1063/1.4864130	journal	February 2014
Domain wall motion and electromechanical strain in lead-free piezoelectrics: Insight from the model system (1 − x)Ba(Zr _0.2 Ti _0.8 )O ₃ –x(Ba _0.7 Ca _0.3 )TiO ₃ using in situ high-energy X-ray diffraction during application of electric fields Tutuncu, Goknur; Li, Binzhi; Bowman, Keith Journal of Applied Physics, Vol. 115, Issue 14 https://doi.org/10.1063/1.4870934	journal	April 2014
Orthorhombic-tetragonal phase coexistence and enhanced piezo-response at room temperature in Zr, Sn, and Hf modified BaTiO3 Kalyani, Ajay Kumar; Brajesh, Kumar; Senyshyn, Anatoliy Applied Physics Letters, Vol. 104, Issue 25 https://doi.org/10.1063/1.4885516	journal	June 2014
Major contributor to the large piezoelectric response in (1 − x)Ba(Zr0.2Ti0.8)O3 − x(Ba0.7Ca0.3)TiO3 ceramics: Domain wall motion Gao, Jinghui; Hu, Xinghao; Zhang, Le Applied Physics Letters, Vol. 104, Issue 25 https://doi.org/10.1063/1.4885675	journal	June 2014
Elastic response of (1 − x )Ba(Ti _0.8 Zr _0.2 )O ₃ – x (Ba _0.7 Ca _0.3 )TiO ₃ ( x = 0.45–0.55) and the role of the intermediate orthorhombic phase in enhancing the piezoelectric coupling Cordero, F.; Craciun, F.; Dinescu, M. Applied Physics Letters, Vol. 105, Issue 23 https://doi.org/10.1063/1.4903807	journal	December 2014
Mechanisms of electromechanical response in (1 − x)Ba(Zr _0.2 Ti _0.8 )O ₃ -x(Ba _0.7 Ca _0.3 )TiO ₃ ceramics Acosta, Matias; Novak, Nikola; Rossetti, George A. Applied Physics Letters, Vol. 107, Issue 14 https://doi.org/10.1063/1.4932654	journal	October 2015
Site engineering and polarization characteristics in (Ba ₁₋ _y Ca _y )(Ti ₁₋ _x Hf _x )O ₃ lead-free ceramics Zhao, Chunlin; Wu, Wenjuan; Wang, Hui Journal of Applied Physics, Vol. 119, Issue 2 https://doi.org/10.1063/1.4939762	journal	January 2016
Role of A-site Ca and B-site Zr substitution in BaTiO ₃ lead-free compounds: Combined experimental and first principles density functional theoretical studies Keswani, Bhavna C.; Saraf, Deepashri; Patil, S. I. Journal of Applied Physics, Vol. 123, Issue 20 https://doi.org/10.1063/1.5021249	journal	May 2018
Electrical and Mechanical Properties of 0.5Ba(Zr _0.2 Ti _0.8 )O ₃ –0.5(Ba _0.7 Ca _0.3 )TiO ₃ (BZT–BCT) Lead Free Ferroelectric Ceramics Reinforced with Nano-sized Al ₂ O ₃ Adhikari, P.; Mazumder, Ranabrata; Sahoo, Ganesh K. Ferroelectrics, Vol. 490, Issue 1 https://doi.org/10.1080/00150193.2015.1072013	journal	January 2016
Critical exponents of the dielectric constants in diffused-phase-transition crystals Uchino, Kenji; Nomura, Shoichiro Ferroelectrics, Vol. 44, Issue 1 https://doi.org/10.1080/00150198208260644	journal	April 1982
Raman spectroscopy of Pb(Zr ₁ ₋ _x Ti _x )O ₃ graded ceramics around the morphotropic phase boundary Buixaderas, E.; Berta, M.; Kozielski, L. Phase Transitions, Vol. 84, Issue 5-6 https://doi.org/10.1080/01411594.2011.552049	journal	May 2011
Electric field effects on polar-nanoregions in Li-doped KTa _1- _x Nb _x O ₃ single crystals probed by micro-Brillouin scattering Rahaman, M. M.; Imai, T.; Sakamoto, T. Integrated Ferroelectrics, Vol. 185, Issue 1 https://doi.org/10.1080/10584587.2017.1370282	journal	November 2017
Barium zirconate-titanate/barium calcium-titanate ceramics via sol–gel process: novel high-energy-density capacitors Puli, Venkata Sreenivas; Kumar, Ashok; Chrisey, Douglas B. Journal of Physics D: Applied Physics, Vol. 44, Issue 39 https://doi.org/10.1088/0022-3727/44/39/395403	journal	September 2011
Raman scattering intensities in BaTiO ₃ and PbTiO ₃ prototypical ferroelectrics from density functional theory Hermet, P.; Veithen, M.; Ghosez, Ph Journal of Physics: Condensed Matter, Vol. 21, Issue 21 https://doi.org/10.1088/0953-8984/21/21/215901	journal	April 2009
Structural phase transition study of the morphotropic phase boundary compositions of Na _0.5 Bi _0.5 TiO ₃ –PbTiO ₃ Singh, Sarab Preet; Ranjan, Rajeev; Senyshyn, Anatoliy Journal of Physics: Condensed Matter, Vol. 21, Issue 37 https://doi.org/10.1088/0953-8984/21/37/375902	journal	August 2009
Phase diagram and piezoelectric response of (Ba _{1− x} Ca _x )(Zr _0.1 Ti _0.9 )O ₃ solid solution Fu, Desheng; Kamai, Yuto; Sakamoto, Naonori Journal of Physics: Condensed Matter, Vol. 25, Issue 42 https://doi.org/10.1088/0953-8984/25/42/425901	journal	October 2013
Sub-THz Raman response in BaTiO ₃ and link with structural phase transition Fontana, Marc D.; Kokanyan, Ninel; Kauffmann, Thomas H. Journal of Physics: Condensed Matter, Vol. 32, Issue 28 https://doi.org/10.1088/1361-648X/ab808e	journal	April 2020
Principles and Applications of Ferroelectrics and Related Materials Lines, M. E.; Glass, A. M. https://doi.org/10.1093/acprof:oso/9780198507789.001.0001	book	February 2001
Effects of Configuration Interaction on Intensities and Phase Shifts Fano, U. Physical Review, Vol. 124, Issue 6 https://doi.org/10.1103/PhysRev.124.1866	journal	December 1961
Raman Spectrum of Single-Domain BaTi O 3 DiDomenico, M.; Wemple, S. H.; Porto, S. P. S. Physical Review, Vol. 174, Issue 2 https://doi.org/10.1103/PhysRev.174.522	journal	October 1968
Large Bulk Photovoltaic Response by Symmetry-Breaking Structural Transformation in Ferroelectric [ Ba ( Zr 0.2 Ti 0.8 ) O 3 ] _0.5 [( Ba 0.7 Ca 0.3 ) Ti O 3 ] _0.5 Bihari Swain, Atal; Murali, D.; Nanda, B. R. K. Physical Review Applied, Vol. 11, Issue 4 https://doi.org/10.1103/PhysRevApplied.11.044007	journal	April 2019
Wide Compositional Range In Situ Electric Field Investigations on Lead-Free Ba ( Zr 0.2 Ti 0.8 ) O 3 − x ( Ba 0.7 Ca 0.3 ) TiO 3 Piezoceramic Zakhozheva, M.; Schmitt, L. A.; Acosta, M. Physical Review Applied, Vol. 3, Issue 6 https://doi.org/10.1103/PhysRevApplied.3.064018	journal	June 2015
Increasing intervention of nonferroelectric distortion and weakening of ferroelectricity at the morphotropic phase boundary in N a 0.5 B i 0.5 Ti O 3 − BaTi O 3 Das Adhikary, Gobinda; Khatua, Dipak Kumar; Mishra, Anupam Physical Review B, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevB.100.134111	journal	October 2019
Adaptive dipolar correlation in ferroelectric x ( Ba 0.7 Ca 0.3 ) TiO 3 − ( 1 − x ) Ba ( Zr 0.2 Ti 0.8 ) O 3 Datta, K.; Brajesh, Kumar; Ranjan, Rajeev Physical Review B, Vol. 102, Issue 6 https://doi.org/10.1103/PhysRevB.102.060102	journal	August 2020
Coexistence of local structural heterogeneities and long-range ferroelectricity in Pb-free ( 1 − x ) Ba ( Zr 0.2 Ti 0.8 ) O 3 − x ( Ba 0.7 Ca 0.3 ) TiO 3 ceramics Dey, K.; Ahad, A.; Gautam, K. Physical Review B, Vol. 103, Issue 10 https://doi.org/10.1103/PhysRevB.103.L100205	journal	March 2021
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Phase diagram of the relaxor ferroelectric ( 1 − x ) P b ( Z n 1 / 3 Nb 2 / 3 ) O 3 − x PbTiO 3 La-Orauttapong, D.; Noheda, B.; Ye, Z. -G. Physical Review B, Vol. 65, Issue 14 https://doi.org/10.1103/PhysRevB.65.144101	journal	March 2002
Low-frequency dielectric spectroscopy of the relaxor ferroelectric Pb ( Mg 1 / 3 Nb 2 / 3 ) O 3 − PbTiO 3 Bokov, A. A.; Ye, Z. -G. Physical Review B, Vol. 65, Issue 14 https://doi.org/10.1103/PhysRevB.65.144112	journal	April 2002
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
Lattice Modes in Ferroelectric Perovskites: PbTi O 3 Burns, Gerald; Scott, Bruce A. Physical Review B, Vol. 7, Issue 7 https://doi.org/10.1103/PhysRevB.7.3088	journal	April 1973
Precursor effects, broken local symmetry, and coexistence of order-disorder and displacive dynamics in perovskite ferroelectrics Bussmann-Holder, A.; Beige, H.; Völkel, G. Physical Review B, Vol. 79, Issue 18 https://doi.org/10.1103/PhysRevB.79.184111	journal	May 2009
Precursor dynamics in the ferroelectric phase transition of barium titanate single crystals studied by Brillouin light scattering Ko, Jae-Hyeon; Kim, Tae Hyun; Roleder, K. Physical Review B, Vol. 84, Issue 9 https://doi.org/10.1103/PhysRevB.84.094123	journal	September 2011
Insights into the phase diagram of bismuth ferrite from quasiharmonic free-energy calculations Cazorla, Claudio; Íñiguez, Jorge Physical Review B, Vol. 88, Issue 21 https://doi.org/10.1103/PhysRevB.88.214430	journal	December 2013
Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba ( Zr 0.2 Ti 0.8 ) O 3 − 0.5 ( Ba 0.7 Ca 0.3 ) TiO 3 Guo, Hanzheng; Voas, Brian K.; Zhang, Shujun Physical Review B, Vol. 90, Issue 1 https://doi.org/10.1103/PhysRevB.90.014103	journal	July 2014
Ab initio design of charge-mismatched ferroelectric superlattices Cazorla, Claudio; Stengel, Massimiliano Physical Review B, Vol. 90, Issue 2 https://doi.org/10.1103/PhysRevB.90.020101	journal	July 2014
Polarization switching and high piezoelectric response in Sn-modified BaTiO 3 Kalyani, Ajay Kumar; Krishnan, Hari; Sen, Arijit Physical Review B, Vol. 91, Issue 2 https://doi.org/10.1103/PhysRevB.91.024101	journal	January 2015
Origin of the large piezoelectric activity in ( 1 − x ) Ba ( Z r 0.2 T i 0.8 ) O 3 − x ( B a 0.7 C a 0.3 ) Ti O 3 ceramics Acosta, Matias; Khakpash, Nasser; Someya, Takumi Physical Review B, Vol. 91, Issue 10 https://doi.org/10.1103/PhysRevB.91.104108	journal	March 2015
Electrostatic engineering of strained ferroelectric perovskites from first principles Cazorla, Claudio; Stengel, Massimiliano Physical Review B, Vol. 92, Issue 21 https://doi.org/10.1103/PhysRevB.92.214108	journal	December 2015
Relaxor ferroelectricity and electric-field-driven structural transformation in the giant lead-free piezoelectric ( Ba , Ca ) ( Ti , Zr ) O 3 Brajesh, Kumar; Tanwar, Khagesh; Abebe, Mulualem Physical Review B, Vol. 92, Issue 22 https://doi.org/10.1103/PhysRevB.92.224112	journal	December 2015
Structural transformations in morphotropic-phase-boundary composition of the lead-free piezoelectric system Ba ( T i 0.8 Z r 0.2 ) O 3 − ( B a 0.7 C a 0.3 ) Ti O 3 Brajesh, Kumar; Abebe, Mulualem; Ranjan, Rajeev Physical Review B, Vol. 94, Issue 10 https://doi.org/10.1103/PhysRevB.94.104108	journal	September 2016
Influence of local strain heterogeneity on high piezoelectricity in 0.5 Ba ( Z r 0.2 T i 0.8 ) O 3 − 0.5 ( B a 0.7 C a 0.3 ) Ti O 3 ceramics Zhang, Le; Ren, Xiaobing; Carpenter, Michael A. Physical Review B, Vol. 95, Issue 5 https://doi.org/10.1103/PhysRevB.95.054116	journal	February 2017
Structural perspective on the anomalous weak-field piezoelectric response at the polymorphic phase boundaries of ( Ba , Ca ) ( Ti , M ) O 3 lead-free piezoelectrics ( M = Zr , Sn, Hf) Abebe, Mulualem; Brajesh, Kumar; Mishra, Anupam Physical Review B, Vol. 96, Issue 1 https://doi.org/10.1103/PhysRevB.96.014113	journal	July 2017
High electromechanical response in the non morphotropic phase boundary piezoelectric system PbTi O 3 − Bi ( Zr 1 / 2 Ni 1 / 2 ) O 3 Pandey, Rishikesh; Narayan, Bastola; Khatua, Dipak Kumar Physical Review B, Vol. 97, Issue 22 https://doi.org/10.1103/PhysRevB.97.224109	journal	June 2018
Quantum-fluctuation-stabilized orthorhombic ferroelectric ground state in lead-free piezoelectric ( Ba , Ca ) ( Zr , Ti ) O 3 Akbarzadeh, Alireza; Brajesh, Kumar; Nahas, Yousra Physical Review B, Vol. 98, Issue 10 https://doi.org/10.1103/PhysRevB.98.104101	journal	September 2018
Large Piezoelectric Effect in Pb-Free Ceramics Liu, Wenfeng; Ren, Xiaobing Physical Review Letters, Vol. 103, Issue 25 https://doi.org/10.1103/PhysRevLett.103.257602	journal	December 2009
Auger-Like Resonant Interference in Raman Scattering from One- and Two-Phonon States of BaTi O 3 Rousseau, D. L.; Porto, S. P. S. Physical Review Letters, Vol. 20, Issue 24 https://doi.org/10.1103/PhysRevLett.20.1354	journal	June 1968
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Perspective on the Development of Lead-free Piezoceramics Rödel, Jürgen; Jo, Wook; Seifert, Klaus T. P. Journal of the American Ceramic Society, Vol. 92, Issue 6 https://doi.org/10.1111/j.1551-2916.2009.03061.x	journal	June 2009
Origins of Electro-Mechanical Coupling in Polycrystalline Ferroelectrics During Subcoercive Electrical Loading: Origins of Electro-Mechanical Coupling in Polycrystalline Ferroelectrics Pramanick, Abhijit; Damjanovic, Dragan; Daniels, John E. Journal of the American Ceramic Society, Vol. 94, Issue 2 https://doi.org/10.1111/j.1551-2916.2010.04240.x	journal	January 2011
Temperature-Dependent Poling Behavior of Lead-free BZT-BCT Piezoelectrics Li, Binzhi; Blendell, John E.; Bowman, Keith J. Journal of the American Ceramic Society, Vol. 94, Issue 10 https://doi.org/10.1111/j.1551-2916.2011.04758.x	journal	August 2011
Lead-Free Relaxor Ferroelectrics Shvartsman, Vladimir V.; Lupascu, Doru C. Journal of the American Ceramic Society, Vol. 95, Issue 1 https://doi.org/10.1111/j.1551-2916.2011.04952.x	journal	December 2011
Phase Transition Behavior and Large Piezoelectricity Near the Morphotropic Phase Boundary of Lead-Free (Ba _0.85 Ca _0.15 )(Zr _0.1 Ti _0.9 )O ₃ Ceramics Tian, Ye; Wei, Lingling; Chao, Xiaolian Journal of the American Ceramic Society, Vol. 96, Issue 2 https://doi.org/10.1111/jace.12049	journal	November 2012
Thermodynamics of Ferroelectric Solid Solutions with Morphotropic Phase Boundaries Heitmann, Adam A.; Rossetti, George A. Journal of the American Ceramic Society, Vol. 97, Issue 6 https://doi.org/10.1111/jace.12979	journal	May 2014
High‐pressure structural investigation on lead‐free piezoelectric 0.5 Ba ( Ti _0.8 Zr _0.2 ) O ₃ ‐ 0.5( Ba _0.7 Ca _0.3 ) TiO ₃ Mondal, Anshuman; Saha, Pinku; Ghosh, Bishnupada Journal of the American Ceramic Society, Vol. 103, Issue 9 https://doi.org/10.1111/jace.17167	journal	April 2020
Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide Cazorla, Claudio; Diéguez, Oswaldo; Íñiguez, Jorge Science Advances, Vol. 3, Issue 6 https://doi.org/10.1126/sciadv.1700288	journal	June 2017
Morphotropic Phase Boundary in Solid Solution Systems of Perovskite-Type Oxide Ferroelectrics Ishibashi, Yoshihiro; Iwata, Makoto Japanese Journal of Applied Physics, Vol. 37, Issue Part 2, No. 8B https://doi.org/10.1143/JJAP.37.L985	journal	August 1998
Theory of Morphotropic Phase Boundary in Solid Solution Systems of Perovskite-Type Oxide Ferroelectrics: p - e Hysteresis Loop Iwata, Makoto; Ishibashi, Yoshihiro Japanese Journal of Applied Physics, Vol. 38, Issue Part 1, No. 9B https://doi.org/10.1143/JJAP.38.5670	journal	September 1999
New High Temperature Morphotropic Phase Boundary Piezoelectrics Based on Bi(Me)O ₃ –PbTiO ₃ Ceramics Eitel, Richard E.; Randall, Clive A.; Shrout, Thomas R. Japanese Journal of Applied Physics, Vol. 40, Issue Part 1, No. 10 https://doi.org/10.1143/JJAP.40.5999	journal	October 2001
Theory of Morphotropic Phase Boundary in Solid Solution Systems of Perovskite-Type Oxide Ferroelectrics: Engineered Domain Configurations II Iwata, Makoto; Orihara, Hiroshi; Ishibashi, Yoshihiro Japanese Journal of Applied Physics, Vol. 40, Issue Part 1, No. 2A https://doi.org/10.1143/JJAP.40.703	journal	February 2001

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