Effect of surface ionic screening on the polarization reversal scenario in ferroelectric thin films: Crossover from ferroionic to antiferroionic states
Abstract
Nonlinear electrostatic interaction between the surface ions of electrochemical nature and ferroelectric dipoles gives rise to the coupled ferroionic states in nanoscale ferroelectrics. Here, we investigated the role of the surface ions formation energy value on the polarization states and polarization reversal mechanisms, domain structure and corresponding phase diagrams of ferroelectric thin films. Using 3D finite elements modeling we analyze the distribution and hysteresis loops of ferroelectric polarization and ionic charge, and dynamics of the domain states. These calculations performed over large parameter space delineate the regions of single- and poly- domain ferroelectric, ferroionic, antiferroionic and non-ferroelectric states as a function of surface ions formation energy, film thickness, applied voltage and temperature. We further map the analytical theory for 1D system onto effective Landau-Ginzburg free energy and establish the correspondence between the 3D numerical and 1D analytical results. In conclusion, this approach allows performing the overview of the ferroionic system phase diagrams and exploring the specifics of switching and domain evolution phenomena.
- Authors:
-
[2];
- National Academy of Sciences of Ukraine, Kyiv (Ukraine)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- National Academy of Sciences of Ukraine, Kyiv (Ukraine); Taras Shevchenko Kyiv National Univ., Kyiv (Ukraine)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1413615
- Alternate Identifier(s):
- OSTI ID: 1411998
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 96; Journal Issue: 24; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Morozovska, Anna N., Eliseev, Eugene A., Kurchak, Anatolii I., Morozovsky, Nicholas V., Vasudevan, Rama K., Strikha, Maksym V., and Kalinin, Sergei V. Effect of surface ionic screening on the polarization reversal scenario in ferroelectric thin films: Crossover from ferroionic to antiferroionic states. United States: N. p., 2017.
Web. doi:10.1103/PhysRevB.96.245405.
Morozovska, Anna N., Eliseev, Eugene A., Kurchak, Anatolii I., Morozovsky, Nicholas V., Vasudevan, Rama K., Strikha, Maksym V., & Kalinin, Sergei V. Effect of surface ionic screening on the polarization reversal scenario in ferroelectric thin films: Crossover from ferroionic to antiferroionic states. United States. https://doi.org/10.1103/PhysRevB.96.245405
Morozovska, Anna N., Eliseev, Eugene A., Kurchak, Anatolii I., Morozovsky, Nicholas V., Vasudevan, Rama K., Strikha, Maksym V., and Kalinin, Sergei V. Fri .
"Effect of surface ionic screening on the polarization reversal scenario in ferroelectric thin films: Crossover from ferroionic to antiferroionic states". United States. https://doi.org/10.1103/PhysRevB.96.245405. https://www.osti.gov/servlets/purl/1413615.
@article{osti_1413615,
title = {Effect of surface ionic screening on the polarization reversal scenario in ferroelectric thin films: Crossover from ferroionic to antiferroionic states},
author = {Morozovska, Anna N. and Eliseev, Eugene A. and Kurchak, Anatolii I. and Morozovsky, Nicholas V. and Vasudevan, Rama K. and Strikha, Maksym V. and Kalinin, Sergei V.},
abstractNote = {Nonlinear electrostatic interaction between the surface ions of electrochemical nature and ferroelectric dipoles gives rise to the coupled ferroionic states in nanoscale ferroelectrics. Here, we investigated the role of the surface ions formation energy value on the polarization states and polarization reversal mechanisms, domain structure and corresponding phase diagrams of ferroelectric thin films. Using 3D finite elements modeling we analyze the distribution and hysteresis loops of ferroelectric polarization and ionic charge, and dynamics of the domain states. These calculations performed over large parameter space delineate the regions of single- and poly- domain ferroelectric, ferroionic, antiferroionic and non-ferroelectric states as a function of surface ions formation energy, film thickness, applied voltage and temperature. We further map the analytical theory for 1D system onto effective Landau-Ginzburg free energy and establish the correspondence between the 3D numerical and 1D analytical results. In conclusion, this approach allows performing the overview of the ferroionic system phase diagrams and exploring the specifics of switching and domain evolution phenomena.},
doi = {10.1103/PhysRevB.96.245405},
journal = {Physical Review B},
number = 24,
volume = 96,
place = {United States},
year = {Fri Dec 08 00:00:00 EST 2017},
month = {Fri Dec 08 00:00:00 EST 2017}
}
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Works referenced in this record:
Direct Observation of Continuous Electric Dipole Rotation in Flux-Closure Domains in Ferroelectric Pb(Zr,Ti)O3
journal, March 2011
- Jia, C. -L.; Urban, K. W.; Alexe, M.
- Science, Vol. 331, Issue 6023
Reversible Chemical Switching of a Ferroelectric Film
journal, January 2009
- Wang, R. V.; Fong, D. D.; Jiang, F.
- Physical Review Letters, Vol. 102, Issue 4
Piezoresponse force spectroscopy of ferroelectric-semiconductor materials
journal, December 2007
- Morozovska, Anna N.; Svechnikov, Sergei V.; Eliseev, Eugene A.
- Journal of Applied Physics, Vol. 102, Issue 11
Ferroionic states in ferroelectric thin films
journal, May 2017
- Morozovska, Anna N.; Eliseev, Eugene A.; Morozovsky, Nicholas V.
- Physical Review B, Vol. 95, Issue 19
Insights into the modeling of adsorption isotherm systems
journal, January 2010
- Foo, K. Y.; Hameed, B. H.
- Chemical Engineering Journal, Vol. 156, Issue 1
Effects of anisotropic elasticity in the problem of domain formation and stability of monodomain state in ferroelectric films
journal, July 2011
- Bratkovsky, A. M.; Levanyuk, A. P.
- Physical Review B, Vol. 84, Issue 4
Equilibrium and stability of polarization in ultrathin ferroelectric films with ionic surface compensation
journal, August 2011
- Stephenson, G. Brian; Highland, Matthew J.
- Physical Review B, Vol. 84, Issue 6
Lattice dynamics of , and : A comparative first-principles study
journal, July 1999
- Ghosez, Ph.; Cockayne, E.; Waghmare, U. V.
- Physical Review B, Vol. 60, Issue 2
Mechanism of adsorption of oxygen and hydrogen on surface of solids
journal, September 1977
- Betsa, V. V.; Zhikharev, V. N.; Popik, Yu. V.
- Soviet Physics Journal, Vol. 20, Issue 9
Surface effects on phase transitions in ferroelectrics and dipolar magnets
journal, August 1979
- Kretschmer, R.; Binder, K.
- Physical Review B, Vol. 20, Issue 3
Domains in Ferroic Crystals and Thin Films
book, January 2010
- Tagantsev, Alexander K.; Cross, L. Eric; Fousek, Jan
Polarization Switching without Domain Formation at the Intrinsic Coercive Field in Ultrathin Ferroelectric
journal, October 2010
- Highland, Matthew J.; Fister, Timothy T.; Richard, Marie-Ingrid
- Physical Review Letters, Vol. 105, Issue 16
General approach for the description of size effects in ferroelectric nanosystems
journal, October 2009
- Eliseev, Eugene A.; Morozovska, Anna N.
- Journal of Materials Science, Vol. 44, Issue 19
Mixed electrochemical–ferroelectric states in nanoscale ferroelectrics
journal, May 2017
- Yang, Sang Mo; Morozovska, Anna N.; Kumar, Rajeev
- Nature Physics, Vol. 13, Issue 8
Stabilization of Monodomain Polarization in Ultrathin Films
journal, March 2006
- Fong, D. D.; Kolpak, A. M.; Eastman, J. A.
- Physical Review Letters, Vol. 96, Issue 12, Article No. 127601
Calculation of Adsorption and Interaction Mechanisms of o_2 and co_2 Molecules on Batio_3 Surface
journal, January 2003
- Sejkovskij,
- Condensed Matter Physics, Vol. 6, Issue 2
Continuous Theory of Ferroelectric States in Ultrathin Films with Real Electrodes
journal, March 2009
- Bratkovsky, A. M.; Levanyuk, A. P.
- Journal of Computational and Theoretical Nanoscience, Vol. 6, Issue 3
Surface effect on domain wall width in ferroelectrics
journal, October 2009
- Eliseev, Eugene A.; Morozovska, Anna N.; Kalinin, Sergei V.
- Journal of Applied Physics, Vol. 106, Issue 8
Theoretical stability of the polarization in a thin semiconducting ferroelectric
journal, January 1998
- Watanabe, Yukio
- Physical Review B, Vol. 57, Issue 2
Interface-induced phenomena in polarization response of ferroelectric thin films
journal, September 2006
- Tagantsev, A. K.; Gerra, G.
- Journal of Applied Physics, Vol. 100, Issue 5
Screening Phenomena on Oxide Surfaces and Its Implications for Local Electrostatic and Transport Measurements
journal, April 2004
- Kalinin, Sergei V.; Bonnell, Dawn A.
- Nano Letters, Vol. 4, Issue 4
Correlated polarization switching in the proximity of a domain wall
journal, July 2010
- Aravind, Vasudeva Rao; Morozovska, A. N.; Bhattacharyya, Saswata
- Physical Review B, Vol. 82, Issue 2
Phase-field modeling of chemical control of polarization stability and switching dynamics in ferroelectric thin films
journal, December 2016
- Cao, Ye; Kalinin, Sergei V.
- Physical Review B, Vol. 94, Issue 23
Potentials of Zero Charge
book, January 1980
- Frumkin, A. N.; Petrii, O. A.; Damaskin, B. B.
- Comprehensive Treatise of Electrochemistry
Humidity effects on tip-induced polarization switching in lithium niobate
journal, March 2014
- Ievlev, A. V.; Morozovska, A. N.; Shur, V. Ya.
- Applied Physics Letters, Vol. 104, Issue 9
Piezoresponse of ferroelectric films in ferroionic states: Time and voltage dynamics
journal, May 2017
- Morozovska, Anna N.; Eliseev, Eugene A.; Morozovsky, Nicholas V.
- Applied Physics Letters, Vol. 110, Issue 18
Observation of a periodic array of flux-closure quadrants in strained ferroelectric PbTiO3 films
journal, April 2015
- Tang, Y. L.; Zhu, Y. L.; Ma, X. L.
- Science, Vol. 348, Issue 6234
Unit-cell scale mapping of ferroelectricity and tetragonality in epitaxial ultrathin ferroelectric films
journal, December 2006
- Jia, Chun-Lin; Nagarajan, Valanoor; He, Jia-Qing
- Nature Materials, Vol. 6, Issue 1
Electric field-induced tetragonal to orthorhombic phase transitions in [110] c -oriented BaTiO 3 single crystals
journal, December 2012
- Franzbach, D. J.; Gu, Y. J.; Chen, L. Q.
- Applied Physics Letters, Vol. 101, Issue 23
Intermittency, quasiperiodicity and chaos in probe-induced ferroelectric domain switching
journal, November 2013
- Ievlev, A. V.; Jesse, S.; Morozovska, A. N.
- Nature Physics, Vol. 10, Issue 1, p. 59-66
Equilibrium Polarization of Ultrathin with Surface Compensation Controlled by Oxygen Partial Pressure
journal, October 2011
- Highland, M. J.; Fister, T. T.; Fong, D. D.
- Physical Review Letters, Vol. 107, Issue 18
Tuning the polar states of ferroelectric films via surface charges and flexoelectricity
journal, September 2017
- Vorotiahin, Ivan S.; Eliseev, Eugene A.; Li, Qian
- Acta Materialia, Vol. 137
Switching spectroscopy piezoresponse force microscopy of ferroelectric materials
journal, February 2006
- Jesse, Stephen; Baddorf, Arthur P.; Kalinin, Sergei V.
- Applied Physics Letters, Vol. 88, Issue 6
Dynamics of plane domain walls in lead germanate and gadolinium molybdate
journal, November 1990
- Shur, V. Ya.; Gruverman, A. L.; Kuminov, V. P.
- Ferroelectrics, Vol. 111, Issue 1
Screening and retardation effects on -domain wall motion in ferroelectrics: Wall velocity and nonlinear dynamics due to polarization-screening charge interactions
journal, December 2008
- Eliseev, E. A.; Morozovska, A. N.; Svechnikov, G. S.
- Physical Review B, Vol. 78, Issue 24
Large electric-field-induced strain in ferroelectric crystals by point-defect-mediated reversible domain switching
journal, January 2004
- Ren, Xiaobing
- Nature Materials, Vol. 3, Issue 2
Works referencing / citing this record:
Epitaxial TiO x Surface in Ferroelectric BaTiO 3 : Native Structure and Dynamic Patterning at the Atomic Scale
journal, June 2019
- Barzilay, Maya; Qiu, Tian; Rappe, Andrew M.
- Advanced Functional Materials, Vol. 30, Issue 18
Ferromagnetic-like behavior of Bi0.9La0.1FeO3–KBr nanocomposites
journal, July 2019
- Karpinsky, Dmitry V.; Fesenko, Olena M.; Silibin, Maxim V.
- Scientific Reports, Vol. 9, Issue 1
Dynamic behavior of CH 3 NH 3 PbI 3 perovskite twin domains
journal, August 2018
- Liu, Yongtao; Collins, Liam; Belianinov, Alex
- Applied Physics Letters, Vol. 113, Issue 7
Real-time studies of ferroelectric domain switching: a review
journal, November 2019
- Li, Linze; Xie, Lin; Pan, Xiaoqing
- Reports on Progress in Physics, Vol. 82, Issue 12
Ferromagnetic-like behavior of Bi0.9La0.1FeO3-KBr nanocomposites
preprint, January 2019
- Karpinsky, Dmitry V.; Fesenko, Olena M.; Silibin, Maxim V.
- arXiv