Negative capacitance regime in antiferroelectric PbZrO3
Abstract
The potential of antiferroelectrics to exhibit a negative capacitance regime has been largely overlooked as all the attention focused on their polar counterparts, ferroelectrics. We use nonequilibrium first-principles-based molecular dynamics to probe a negative capacitance regime in prototypical antiferroelectric PbZrO3. Simulations predict that this antiferroelectric can exhibit a negative capacitance/susceptibility regime in response of polarization to an internal electric field, which is a superposition of applied and residual depolarizing fields. Consequently, the regime emerges when the polarization surface charge in the polar phase of antiferroelectric is not fully screened, as is often the case in thin films and nanostructures. The negative capacitance regime occurs below the Curie temperature and disappears in the paraelectric phase. We find that the time the material spends in the negative capacitance regime is proportional to the time needed to complete antipolar–polar (or its reverse) transition and shortens as the frequency of the applied field increases. Furthermore, a negative susceptibility value exhibits strong dependence on the quality of surface charge screening with the largest in magnitude values occurring in the vicinity of the transition into a negative capacitance regime.
- Publication Date:
- Research Org.:
- Univ. of South Florida, Tampa, FL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1889388
- Alternate Identifier(s):
- OSTI ID: 1877311
- Grant/Contract Number:
- SC0005245
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 132; Journal Issue: 3; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Thin films; Antiferroelectricity; Molecular dynamics; Dielectric materials; Ferroelectric materials; Phase transitions
Citation Formats
Doherty, J., Lynch, K. A., and Ponomareva, I. Negative capacitance regime in antiferroelectric PbZrO3. United States: N. p., 2022.
Web. doi:10.1063/5.0087290.
Doherty, J., Lynch, K. A., & Ponomareva, I. Negative capacitance regime in antiferroelectric PbZrO3. United States. https://doi.org/10.1063/5.0087290
Doherty, J., Lynch, K. A., and Ponomareva, I. Thu .
"Negative capacitance regime in antiferroelectric PbZrO3". United States. https://doi.org/10.1063/5.0087290. https://www.osti.gov/servlets/purl/1889388.
@article{osti_1889388,
title = {Negative capacitance regime in antiferroelectric PbZrO3},
author = {Doherty, J. and Lynch, K. A. and Ponomareva, I.},
abstractNote = {The potential of antiferroelectrics to exhibit a negative capacitance regime has been largely overlooked as all the attention focused on their polar counterparts, ferroelectrics. We use nonequilibrium first-principles-based molecular dynamics to probe a negative capacitance regime in prototypical antiferroelectric PbZrO3. Simulations predict that this antiferroelectric can exhibit a negative capacitance/susceptibility regime in response of polarization to an internal electric field, which is a superposition of applied and residual depolarizing fields. Consequently, the regime emerges when the polarization surface charge in the polar phase of antiferroelectric is not fully screened, as is often the case in thin films and nanostructures. The negative capacitance regime occurs below the Curie temperature and disappears in the paraelectric phase. We find that the time the material spends in the negative capacitance regime is proportional to the time needed to complete antipolar–polar (or its reverse) transition and shortens as the frequency of the applied field increases. Furthermore, a negative susceptibility value exhibits strong dependence on the quality of surface charge screening with the largest in magnitude values occurring in the vicinity of the transition into a negative capacitance regime.},
doi = {10.1063/5.0087290},
journal = {Journal of Applied Physics},
number = 3,
volume = 132,
place = {United States},
year = {Thu Jul 21 00:00:00 EDT 2022},
month = {Thu Jul 21 00:00:00 EDT 2022}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
U1 snRNP regulates cancer cell migration and invasion in vitro
journal, January 2020
- Oh, Jung-Min; Venters, Christopher C.; Di, Chao
- Nature Communications, Vol. 11, Issue 1
Negative capacitance to the rescue?
journal, February 2008
- Zhirnov, Victor V.; Cavin, Ralph K.
- Nature Nanotechnology, Vol. 3, Issue 2
Negative capacitance in a ferroelectric capacitor
journal, December 2014
- Khan, Asif Islam; Chatterjee, Korok; Wang, Brian
- Nature Materials, Vol. 14, Issue 2
Spatially resolved steady-state negative capacitance
journal, January 2019
- Yadav, Ajay K.; Nguyen, Kayla X.; Hong, Zijian
- Nature, Vol. 565, Issue 7740
Intrinsic dynamics of the electric-field-induced phase switching in antiferroelectric ultrathin films
journal, August 2018
- Fthenakis, Z. G.; Ponomareva, I.
- Physical Review B, Vol. 98, Issue 5
Statistical switching kinetics of ferroelectrics
journal, December 2008
- Lou, X. J.
- Journal of Physics: Condensed Matter, Vol. 21, Issue 1
Negative capacitance regime in ferroelectrics demystified from nonequilibrium molecular dynamics
journal, October 2020
- Lynch, K. A.; Ponomareva, I.
- Physical Review B, Vol. 102, Issue 13
Use of Negative Capacitance to Provide Voltage Amplification for Low Power Nanoscale Devices
journal, February 2008
- Salahuddin, Sayeef; Datta, Supriyo
- Nano Letters, Vol. 8, Issue 2
Intrinsic Nature of Negative Capacitance in Multidomain Hf 0.5 Zr 0.5 O 2 ‐Based Ferroelectric/Dielectric Heterostructures
journal, October 2021
- Hoffmann, Michael; Gui, Mengcheng; Slesazeck, Stefan
- Advanced Functional Materials, Vol. 32, Issue 2
Performance Optimization of Analog Circuits in Negative Capacitance Transistor Technology
journal, September 2021
- Prakash, Om; Chauhan, Nitanshu; Gupta, Aniket
- Microelectronics Journal, Vol. 115
Prediction of high-strain polar phases in antiferroelectric from a multiscale approach
journal, September 2020
- Lisenkov, S.; Yao, Yulian; Bassiri-Gharb, Nazanin
- Physical Review B, Vol. 102, Issue 10
Anomalous collapses of Nares Strait ice arches leads to enhanced export of Arctic sea ice
journal, January 2021
- Moore, G. W. K.; Howell, S. E. L.; Brady, M.
- Nature Communications, Vol. 12, Issue 1
Dynamics of antiferroelectric phase transition in
journal, November 2017
- Fthenakis, Z. G.; Ponomareva, I.
- Physical Review B, Vol. 96, Issue 18
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
Relation between dielectric responses and polarization fluctuations in ferroelectric nanostructures
journal, December 2007
- Ponomareva, I.; Bellaiche, L.; Resta, R.
- Physical Review B, Vol. 76, Issue 23
Progress and future prospects of negative capacitance electronics: A materials perspective
journal, February 2021
- Hoffmann, Michael; Slesazeck, Stefan; Mikolajick, Thomas
- APL Materials, Vol. 9, Issue 2
Ferroelectric negative capacitance
journal, March 2019
- Íñiguez, Jorge; Zubko, Pavlo; Luk’yanchuk, Igor
- Nature Reviews Materials, Vol. 4, Issue 4
The Concept of Negative Capacitance in Ionically Conductive Van der Waals Ferroelectrics
journal, September 2020
- Neumayer, Sabine M.; Tao, Lei; O'Hara, Andrew
- Advanced Energy Materials, Vol. 10, Issue 39
Role of depolarization in the polarization reversal in ferroelectrics
journal, July 2019
- Kingsland, M.; Fthenakis, Z. G.; Ponomareva, I.
- Physical Review B, Vol. 100, Issue 2
Temperature Dependence of Dielectric Properties of Ferroelectric Heterostructures with Domain-Provided Negative Capacitance
journal, December 2021
- Pavlenko, Maksim A.; Tikhonov, Yuri A.; Razumnaya, Anna G.
- Nanomaterials, Vol. 12, Issue 1
Universality and origin of ultrashort intrinsic negative dielectric permittivity
journal, January 2020
- Prosandeev, Sergey; Paillard, Charles; Xu, B.
- Physical Review B, Vol. 101, Issue 2
Experimental evidence of ferroelectric negative capacitance in nanoscale heterostructures
journal, September 2011
- Islam Khan, Asif; Bhowmik, Debanjan; Yu, Pu
- Applied Physics Letters, Vol. 99, Issue 11
Negative capacitance in multidomain ferroelectric superlattices
journal, June 2016
- Zubko, Pavlo; Wojdeł, Jacek C.; Hadjimichael, Marios
- Nature, Vol. 534, Issue 7608
An anti-ferroelectric gated Landau transistor to achieve sub-60 mV/dec switching at low voltage and high speed
journal, April 2015
- Karda, Kamal; Jain, Ankit; Mouli, Chandra
- Applied Physics Letters, Vol. 106, Issue 16
Critical Thickness for Antiferroelectricity in
journal, August 2015
- Mani, B. K.; Chang, C. -M.; Lisenkov, S.
- Physical Review Letters, Vol. 115, Issue 9
Dielectric Anomalies in Ferroelectric Nanostructures
journal, November 2007
- Ponomareva, I.; Bellaiche, L.; Resta, R.
- Physical Review Letters, Vol. 99, Issue 22
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
Self-consistent model of polarization switching kinetics in disordered ferroelectrics
journal, August 2013
- Genenko, Yuri A.; Wehner, Jens; von Seggern, Heinz
- Journal of Applied Physics, Vol. 114, Issue 8