Intrinsic dynamics of the electric-field-induced phase switching in antiferroelectric ultrathin films
Abstract
Antiferroelectric ultrathin PbZrO3 films can exhibit both ferroelectric and antiferroelectric behavior depending on the thickness. We use first-principles-based nanoscopic simulations to investigate the intrinsic high-frequency dynamics of the electric-field-induced phase switching in such films which so far remains unknown. Here in this comprehensive study we report (i) the size and frequency evolution of the polarization response to the electric field;(ii)the intrinsic time for the phase switching; (iii) detailed comparison between the polarization reversal in the films with ferroelectric and antiferroelectric behavior; (iv) dynamics of the antiferroelectric and antiferrodistortive order parameters; (v) nanoscopic mechanism responsible for the phase switching. The nanoscopic insight leads to the prediction of the existence of two possible scenarios for the antipolar-polar phase switching depending on the mutual orientation of the antiferroelectric order parameter and the electric field. The two scenarios have different dynamical fingerprints. The polar-antipolar phase switching is found to be assisted by the formation of a nonpolar phase. Computational data indicate that the phase switching time is only fractions of nanoseconds for the polar-polar phase switching in ferroelectric films and polar-antipolar phase switching in antiferroelectric films. The antipolar-polar phase switching in antiferroelectric films is just a bit slower and takes the order of nanosecond.more »
- Authors:
-
- Univ. of South Florida, Tampa, FL (United States). Dept. of Physics
- Publication Date:
- Research Org.:
- Univ. of South Florida, Tampa, FL (United States). Dept. of Physics
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Org.:
- USF Research Computing, sponsored in part by National Science Foundation (NSF) MRI CHE-1531590
- OSTI Identifier:
- 1465752
- Alternate Identifier(s):
- OSTI ID: 1465609
- Grant/Contract Number:
- SC0005245
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 98; Journal Issue: 5; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE; 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; 25 ENERGY STORAGE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Antiferroelectricity; Domains; Ferroelectricity; Order parameters; Ultra thin filmsl Molecular dynamicsl Metropolis algorithm; Phase transitions
Citation Formats
Fthenakis, Z. G., and Ponomareva, I. Intrinsic dynamics of the electric-field-induced phase switching in antiferroelectric PbZrO3 ultrathin films. United States: N. p., 2018.
Web. doi:10.1103/PhysRevB.98.054107.
Fthenakis, Z. G., & Ponomareva, I. Intrinsic dynamics of the electric-field-induced phase switching in antiferroelectric PbZrO3 ultrathin films. United States. https://doi.org/10.1103/PhysRevB.98.054107
Fthenakis, Z. G., and Ponomareva, I. Tue .
"Intrinsic dynamics of the electric-field-induced phase switching in antiferroelectric PbZrO3 ultrathin films". United States. https://doi.org/10.1103/PhysRevB.98.054107. https://www.osti.gov/servlets/purl/1465752.
@article{osti_1465752,
title = {Intrinsic dynamics of the electric-field-induced phase switching in antiferroelectric PbZrO3 ultrathin films},
author = {Fthenakis, Z. G. and Ponomareva, I.},
abstractNote = {Antiferroelectric ultrathin PbZrO3 films can exhibit both ferroelectric and antiferroelectric behavior depending on the thickness. We use first-principles-based nanoscopic simulations to investigate the intrinsic high-frequency dynamics of the electric-field-induced phase switching in such films which so far remains unknown. Here in this comprehensive study we report (i) the size and frequency evolution of the polarization response to the electric field;(ii)the intrinsic time for the phase switching; (iii) detailed comparison between the polarization reversal in the films with ferroelectric and antiferroelectric behavior; (iv) dynamics of the antiferroelectric and antiferrodistortive order parameters; (v) nanoscopic mechanism responsible for the phase switching. The nanoscopic insight leads to the prediction of the existence of two possible scenarios for the antipolar-polar phase switching depending on the mutual orientation of the antiferroelectric order parameter and the electric field. The two scenarios have different dynamical fingerprints. The polar-antipolar phase switching is found to be assisted by the formation of a nonpolar phase. Computational data indicate that the phase switching time is only fractions of nanoseconds for the polar-polar phase switching in ferroelectric films and polar-antipolar phase switching in antiferroelectric films. The antipolar-polar phase switching in antiferroelectric films is just a bit slower and takes the order of nanosecond. Under nonequilibrium conditions we find formation of antiferroelectric and antiferrodistortive nanodomains and coexistence of polar and antipolar order parameters.},
doi = {10.1103/PhysRevB.98.054107},
journal = {Physical Review B},
number = 5,
volume = 98,
place = {United States},
year = {2018},
month = {8}
}
Web of Science
Works referenced in this record:
Dynamic hysteresis and scaling behavior in epitaxial antiferroelectric film
journal, June 2015
- Ge, Jun; Chen, Ying; Dong, Xianlin
- Thin Solid Films, Vol. 584
Antiferroelectric polarization switching and dynamic scaling of energy storage: A Monte Carlo simulation
journal, May 2016
- Huang, B. Y.; Lu, Z. X.; Zhang, Y.
- Journal of Applied Physics, Vol. 119, Issue 17
Electrocaloric effect in PbZrO3 thin films with antiferroelectric-ferroelectric phase competition
journal, March 2017
- Glazkova-Swedberg, E.; Cuozzo, J.; Lisenkov, S.
- Computational Materials Science, Vol. 129
Charge release of lanthanum-doped lead zirconate titanate stannate antiferroelectric thin films
journal, February 1998
- Xu, Baomin; Moses, Paul; Pai, Neelesh G.
- Applied Physics Letters, Vol. 72, Issue 5
Growth, microstructure, and ferroelectric properties of Pb(Zr0.4Ti0.6)O3∕PbZrO3 superlattices prepared on SrTiO3 (100) substrates by pulsed laser deposition
journal, March 2007
- Bao, Dinghua; Scholz, Roland; Alexe, Marin
- Journal of Applied Physics, Vol. 101, Issue 5
Intrinsic Ferroelectric Coercive Field
journal, January 2000
- Ducharme, Stephen; Fridkin, V. M.; Bune, A. V.
- Physical Review Letters, Vol. 84, Issue 1
Kinetics of ferroelectric switching in ultrathin films
journal, September 2003
- Vizdrik, G.; Ducharme, S.; Fridkin, V. M.
- Physical Review B, Vol. 68, Issue 9
Antiferroelectric Thin Films: Giant Negative Electrocaloric Effect in Antiferroelectric La-Doped Pb(ZrTi)O 3 Thin Films Near Room Temperature (Adv. Mater. 20/2015)
journal, May 2015
- Geng, Wenping; Liu, Yang; Meng, Xiangjian
- Advanced Materials, Vol. 27, Issue 20
Scaling behavior of an antiferroelectric hysteresis loop
journal, May 1997
- Kim, Yong-Hae; Kim, Jong-Jean
- Physical Review B, Vol. 55, Issue 18
Epitaxial strain stabilization of a ferroelectric phase in PbZrO thin films
journal, August 2011
- Roy Chaudhuri, Ayan; Arredondo, Miryam; Hähnel, Angelika
- Physical Review B, Vol. 84, Issue 5
Emergence of ferroelectricity in antiferroelectric nanostructures
journal, April 2016
- Mani, B. K.; Herchig, R.; Glazkova, E.
- Nanotechnology, Vol. 27, Issue 19
Antiferroelectric Thin-Film Capacitors with High Energy-Storage Densities, Low Energy Losses, and Fast Discharge Times
journal, November 2015
- Ahn, Chang Won; Amarsanaa, Gantsooj; Won, Sung Sik
- ACS Applied Materials & Interfaces, Vol. 7, Issue 48
Dynamics of antiferroelectric phase transition in
journal, November 2017
- Fthenakis, Z. G.; Ponomareva, I.
- Physical Review B, Vol. 96, Issue 18
Energy storage and polarization switching kinetics of (001)-oriented Pb 0.97 La 0.02 (Zr 0.95 Ti 0.05 )O 3 antiferroelectric thick films
journal, March 2016
- Liu, C.; Lin, S. X.; Qin, M. H.
- Applied Physics Letters, Vol. 108, Issue 11
Finite-temperature properties of antiferroelectric from atomistic simulations
journal, April 2015
- Mani, B. K.; Lisenkov, S.; Ponomareva, I.
- Physical Review B, Vol. 91, Issue 13
A comprehensive review on the progress of lead zirconate-based antiferroelectric materials
journal, June 2014
- Hao, Xihong; Zhai, Jiwei; Kong, Ling Bing
- Progress in Materials Science, Vol. 63
Electric field induced phase transition of antiferroelectric lead lanthanum zirconate titanate stannate ceramics
journal, August 1997
- Park, Seung-Eek; Pan, Ming-Jen; Markowski, Kelley
- Journal of Applied Physics, Vol. 82, Issue 4
Superlattices of PbZrO 3 and PbTiO 3 prepared by multi‐ion‐beam sputtering
journal, January 1996
- Kanno, I.; Hayashi, S.; Takayama, R.
- Applied Physics Letters, Vol. 68, Issue 3
Non-Kolmogorov-Avrami switching kinetics in ferroelectric thin films
journal, December 2002
- Tagantsev, Alexander K.; Stolichnov, Igor; Setter, Nava
- Physical Review B, Vol. 66, Issue 21
Dynamic Hysteresis and Scaling Behavior of Energy Density in Pb0.99Nb0.02[(Zr0.60Sn0.40)0.95Ti0.05]O3 Antiferroelectric Bulk Ceramics
journal, February 2012
- Chen, Xuefeng; Cao, Fei; Zhang, Hongling
- Journal of the American Ceramic Society, Vol. 95, Issue 4
Competing polarization reversal mechanisms in ferroelectric nanowires
journal, December 2012
- McCash, Kevin; Srikanth, A.; Ponomareva, I.
- Physical Review B, Vol. 86, Issue 21
Evaluation of discharge energy density of antiferroelectric ceramics for pulse capacitors
journal, July 2016
- Xu, Ran; Xu, Zhuo; Feng, Yujun
- Applied Physics Letters, Vol. 109, Issue 3
Antiferroelectric Tunnel Junctions
journal, May 2017
- Apachitei, Geanina; Peters, Jonathan J. P.; Sanchez, Ana M.
- Advanced Electronic Materials, Vol. 3, Issue 7
Critical Thickness for Antiferroelectricity in
journal, August 2015
- Mani, B. K.; Chang, C. -M.; Lisenkov, S.
- Physical Review Letters, Vol. 115, Issue 9
Atomistic treatment of depolarizing energy and field in ferroelectric nanostructures
journal, October 2005
- Ponomareva, I.; Naumov, I. I.; Kornev, I.
- Physical Review B, Vol. 72, Issue 14