Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites

Cao, Ye; Chen, Long-Qing; Kalinin, Sergei V.

doi:10.1063/1.4983560

Title: Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites

Journal Article · Tue May 16 00:00:00 EDT 2017 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4983560· OSTI ID:1376610

^[1]; Chen, Long-Qing ^[2];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Pennsylvania State Univ., University Park, PA (United States)

Ferroelectric and ferroelastic domain walls play important roles in ferroelectric properties. However, their couplings with flexoelectricity have been less understood. Here, we applied phase-field simulation to investigate the flexoelectric coupling with ferroelectric a/c twin structures in lead ziconate titanate thin films. Local stress gradients were found to exist near twin walls that created both lateral and vertical electric fields through the flexoelectric effect, resulting in polarization inclinations from either horizontal or normal orientation, polarization rotation angles deviated from 90°, and consequently highly asymmetric a/c twin walls. Furthermore, by tuning the flexoelectric strengths in a reasonable range from first-principles calculations, we found that the transverse flexoelectric coefficient has a larger influence on the polarization rotation than longitudinal and shear coefficients. And as polar rotations that commonly occur at compositional morphotropic phase boundaries contribute to the piezoelectric enhancement, this work calls for further exploration of alternative strain-engineered polar rotations via flexoelectricity in ferroelectric thin films.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

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

Grant/Contract Number:: AC05-00OR22725; FG02-07ER46417

OSTI ID:: 1376610

Alternate ID(s):: OSTI ID: 1361894

Journal Information:: Applied Physics Letters, Vol. 110, Issue 20; ISSN 0003-6951

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

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 8 works

Citation information provided by
Web of Science

References (31)

Thermodynamic theory of PbTiO ₃ Haun, M. J.; Furman, E.; Jang, S. J. Journal of Applied Physics, Vol. 62, Issue 8 https://doi.org/10.1063/1.339293	journal	October 1987
Flexoelectric Effect in Solids Zubko, Pavlo; Catalan, Gustau; Tagantsev, Alexander K. Annual Review of Materials Research, Vol. 43, Issue 1 https://doi.org/10.1146/annurev-matsci-071312-121634	journal	July 2013
Phase-Field Models for Microstructure Evolution Chen, Long-Qing Annual Review of Materials Research, Vol. 32, Issue 1 https://doi.org/10.1146/annurev.matsci.32.112001.132041	journal	August 2002
Mechanical Writing of Ferroelectric Polarization Lu, H.; Bark, C. -W.; Esque de los Ojos, D. Science, Vol. 336, Issue 6077 https://doi.org/10.1126/science.1218693	journal	April 2012
Short-range and long-range contributions to the size effect in metal-ferroelectric-metal heterostructures Tagantsev, A. K.; Gerra, G.; Setter, N. Physical Review B, Vol. 77, Issue 17 https://doi.org/10.1103/PhysRevB.77.174111	journal	May 2008
Nanomechanics of flexoelectric switching Očenášek, J.; Lu, H.; Bark, C. W. Physical Review B, Vol. 92, Issue 3 https://doi.org/10.1103/PhysRevB.92.035417	journal	July 2015
Phase-field model of domain structures in ferroelectric thin films Li, Y. L.; Hu, S. Y.; Liu, Z. K. Applied Physics Letters, Vol. 78, Issue 24 https://doi.org/10.1063/1.1377855	journal	June 2001
Flexoelectricity and ferroelectric domain wall structures: Phase-field modeling and DFT calculations Gu, Yijia; Li, Menglei; Morozovska, Anna N. Physical Review B, Vol. 89, Issue 17 https://doi.org/10.1103/PhysRevB.89.174111	journal	May 2014
Phase field simulations of ferroelectrics domain structures in PbZrxTi1−xO3 bilayers Xue, F.; Wang, J. J.; Sheng, G. Acta Materialia, Vol. 61, Issue 8 https://doi.org/10.1016/j.actamat.2013.01.038	journal	May 2013
Flexoelectric rotation of polarization in ferroelectric thin films Catalan, G.; Lubk, A.; Vlooswijk, A. H. G. Nature Materials, Vol. 10, Issue 12 https://doi.org/10.1038/nmat3141	journal	October 2011
Conduction at domain walls in oxide multiferroics Seidel, J.; Martin, L. W.; He, Q. Nature Materials, Vol. 8, Issue 3 https://doi.org/10.1038/nmat2373	journal	January 2009
Fundamentals of flexoelectricity in solids Yudin, P. V.; Tagantsev, A. K. Nanotechnology, Vol. 24, Issue 43 https://doi.org/10.1088/0957-4484/24/43/432001	journal	October 2013
Nanoscale mechanical switching of ferroelectric polarization via flexoelectricity Gu, Yijia; Hong, Zijian; Britson, Jason Applied Physics Letters, Vol. 106, Issue 2 https://doi.org/10.1063/1.4905837	journal	January 2015
Dynamic Conductivity of Ferroelectric Domain Walls in BiFeO ₃ Maksymovych, Peter; Seidel, Jan; Chu, Ying Hao Nano Letters, Vol. 11, Issue 5 https://doi.org/10.1021/nl104363x	journal	May 2011
The flexoelectricity of barium and strontium titanates from first principles Hong, Jiawang; Catalan, G.; Scott, J. F. Journal of Physics: Condensed Matter, Vol. 22, Issue 11 https://doi.org/10.1088/0953-8984/22/11/112201	journal	March 2010
Thermodynamic theory of the lead zirconate-titanate solid solution system, part I: Phenomenology Haun, M. J.; Furman, E.; Jang, S. J. Ferroelectrics, Vol. 99, Issue 1 https://doi.org/10.1080/00150198908221436	journal	November 1989
Flexoelectric effect in ceramic lead zirconate titanate Ma, Wenhui; Cross, L. Eric Applied Physics Letters, Vol. 86, Issue 7 https://doi.org/10.1063/1.1868078	journal	January 2005
Thermodynamic theory of the lead zirconate-titanate solid solution system, part III: Curie constant and sixth-order polarization interaction dielectric stiffness coefficients Haun, M. J.; Zhuang, Z. Q.; Furman, E. Ferroelectrics, Vol. 99, Issue 1 https://doi.org/10.1080/00150198908221438	journal	November 1989
Strain-gradient-induced electric polarization in lead zirconate titanate ceramics Ma, Wenhui; Cross, L. Eric Applied Physics Letters, Vol. 82, Issue 19 https://doi.org/10.1063/1.1570517	journal	May 2003
Bichiral structure of ferroelectric domain walls driven by flexoelectricity Yudin, P. V.; Tagantsev, A. K.; Eliseev, E. A. Physical Review B, Vol. 86, Issue 13 https://doi.org/10.1103/PhysRevB.86.134102	journal	October 2012
Applications of semi-implicit Fourier-spectral method to phase field equations Chen, L. Q.; Shen, Jie Computer Physics Communications, Vol. 108, Issue 2-3 https://doi.org/10.1016/S0010-4655(97)00115-X	journal	February 1998
Erratum: “Symmetry of flexoelectric coefficients in crystalline medium” [J. Appl. Phys. 110 , 104106 (2011)] Shu, Longlong; Wei, Xiaoyong; Pang, Ting Journal of Applied Physics, Vol. 116, Issue 12 https://doi.org/10.1063/1.4896397	journal	September 2014
Dielectric Constant in Paraelectric Perovskites Rupprecht, G.; Bell, R. O. Physical Review, Vol. 135, Issue 3A https://doi.org/10.1103/PhysRev.135.A748	journal	August 1964
Microwave a.c. conductivity of domain walls in ferroelectric thin films Tselev, Alexander; Yu, Pu; Cao, Ye Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11630	journal	May 2016
Phase-Field Method of Phase Transitions/Domain Structures in Ferroelectric Thin Films: A Review Chen, Long-Qing Journal of the American Ceramic Society, Vol. 91, Issue 6 https://doi.org/10.1111/j.1551-2916.2008.02413.x	journal	June 2008
Symmetry of flexoelectric coefficients in crystalline medium Shu, Longlong; Wei, Xiaoyong; Pang, Ting Journal of Applied Physics, Vol. 110, Issue 10 https://doi.org/10.1063/1.3662196	journal	November 2011
Finite size and intrinsic field effect on the polar-active properties of ferroelectric-semiconductor heterostructures Morozovska, A. N.; Eliseev, E. A.; Svechnikov, S. V. Physical Review B, Vol. 81, Issue 20 https://doi.org/10.1103/PhysRevB.81.205308	journal	May 2010
Influence of flexoelectric coupling on domain patterns in ferroelectrics Ahluwalia, Rajeev; Tagantsev, Alexander K.; Yudin, Petr Physical Review B, Vol. 89, Issue 17 https://doi.org/10.1103/PhysRevB.89.174105	journal	May 2014
Effect of substrate constraint on the stability and evolution of ferroelectric domain structures in thin films Li, Y. L.; Hu, S. Y.; Liu, Z. K. Acta Materialia, Vol. 50, Issue 2 https://doi.org/10.1016/S1359-6454(01)00360-3	journal	January 2002
The number and types of all possible rotational symmetries for flexoelectric tensors Le Quang, H.; He, Q. -C. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 467, Issue 2132 https://doi.org/10.1098/rspa.2010.0521	journal	February 2011
Ferroelectric domain structures in SrBi2Nb2O9 epitaxial thin films: Electron microscopy and phase-field simulations Li, Y. L.; Chen, L. Q.; Asayama, G. Journal of Applied Physics, Vol. 95, Issue 11 https://doi.org/10.1063/1.1707211	journal	June 2004

Cited By (1)

Deterministic optical control of room temperature multiferroicity in BiFeO3 thin films Liou, Yi-De; Chiu, Yu-You; Hart, Ryan Thomas Nature Materials, Vol. 18, Issue 6 https://doi.org/10.1038/s41563-019-0348-x	journal	May 2019

Similar Records

Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling

Journal Article · Wed Aug 08 00:00:00 EDT 2012 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1376610

Eliseev, Eugene A.; Morozovska, Anna N.; Gu, Yijia; +4 more

Intrinsic structural instabilities of domain walls driven by gradient coupling: Meandering antiferrodistortive-ferroelectric domain walls in BiFeO₃

Journal Article · Fri Jan 25 00:00:00 EST 2019 · Physical Review B · OSTI ID:1376610

Eliseev, E. A.; Morozovska, A. N.; Nelson, Christopher T.; +1 more

Nanoscale Origins of Ferroelastic Domain Wall Mobility in Ferroelectric Multilayers

Journal Article · Mon Oct 31 00:00:00 EDT 2016 · ACS Nano · OSTI ID:1376610

Huang, Hsin-Hui; Hong, Zijian; Xin, Huolin L.; +5 more

Related Subjects

36 MATERIALS SCIENCE

Title: Role of flexoelectric coupling in polarization rotations at the a-c domain walls in ferroelectric perovskites

Citation Formats

References (31)

Cited By (1)

Similar Records

Related Subjects