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Title: Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range

Abstract

Relaxor ferroelectrics are of great scientific and technological significance as they exhibit large and unusual responses to external stimuli. Their hallmark features are broadness and frequency dispersion of the peak in the temperature dependence of the dielectric constant. Both are believed to originate from the dynamics of polar nanoregions. Here, we apply first-principles-based molecular dynamics to resolve the gigahertz electric response of dynamically poled Ba (Ti1 - x , Zrx) O3 ferroelectric relaxors that remained overlooked so far. We find that (i) the hallmark relaxor features continue to persist even in the dynamically poled structures, but do not necessarily originate from the polar nanoregions dynamics; (ii) dynamically poled samples exhibit polarization aging which leads to the frequency dependence of both remnant polarization and the Curie temperature; (iii) “dynamical” nature of the latter naturally explains the frequency dependence of the dielectric susceptibility maximum in dynamically poled Ba (Ti1 - x, Zrx) O3; and (iv) incorporation of the polarization aging into dielectric susceptibility expression explains its enhancing contribution in an intuitive way.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1]
  1. Univ. of South Florida, Tampa, FL (United States)
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:
1755863
Grant/Contract Number:  
SC0005245
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 102; Journal Issue: 22; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Lisenkov, S., Ladera, A., and Ponomareva, I. Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range. United States: N. p., 2020. Web. doi:10.1103/physrevb.102.224109.
Lisenkov, S., Ladera, A., & Ponomareva, I. Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range. United States. https://doi.org/10.1103/physrevb.102.224109
Lisenkov, S., Ladera, A., and Ponomareva, I. Wed . "Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range". United States. https://doi.org/10.1103/physrevb.102.224109. https://www.osti.gov/servlets/purl/1755863.
@article{osti_1755863,
title = {Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range},
author = {Lisenkov, S. and Ladera, A. and Ponomareva, I.},
abstractNote = {Relaxor ferroelectrics are of great scientific and technological significance as they exhibit large and unusual responses to external stimuli. Their hallmark features are broadness and frequency dispersion of the peak in the temperature dependence of the dielectric constant. Both are believed to originate from the dynamics of polar nanoregions. Here, we apply first-principles-based molecular dynamics to resolve the gigahertz electric response of dynamically poled Ba (Ti1 - x , Zrx) O3 ferroelectric relaxors that remained overlooked so far. We find that (i) the hallmark relaxor features continue to persist even in the dynamically poled structures, but do not necessarily originate from the polar nanoregions dynamics; (ii) dynamically poled samples exhibit polarization aging which leads to the frequency dependence of both remnant polarization and the Curie temperature; (iii) “dynamical” nature of the latter naturally explains the frequency dependence of the dielectric susceptibility maximum in dynamically poled Ba (Ti1 - x, Zrx) O3; and (iv) incorporation of the polarization aging into dielectric susceptibility expression explains its enhancing contribution in an intuitive way.},
doi = {10.1103/physrevb.102.224109},
journal = {Physical Review B},
number = 22,
volume = 102,
place = {United States},
year = {Wed Dec 23 00:00:00 EST 2020},
month = {Wed Dec 23 00:00:00 EST 2020}
}

Works referenced in this record:

Atomistic study of soft-mode dynamics in PbTiO 3
journal, August 2013


Broadband Dielectric Spectroscopy of Ba(Zr,Ti)O 3 : Dynamics of Relaxors and Diffuse Ferroelectrics
journal, September 2014


The giant electromechanical response in ferroelectric relaxors as a critical phenomenon
journal, June 2006


Recent progress in relaxor ferroelectrics with perovskite structure
journal, January 2006


Lead-Free Relaxor Ferroelectrics
journal, December 2011


First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO 3
journal, September 1995


Role of depolarization in the polarization reversal in ferroelectrics
journal, July 2019


Dielectric Behavior of Ba(Ti 1 − x Zr x )O 3 Solid Solution
journal, August 2006


Dielectric Relaxation in Relaxor Ferroelectrics
journal, April 2012


Subterahertz dielectric relaxation in lead-free Ba(Zr,Ti)O3 relaxor ferroelectrics
journal, April 2016

  • Wang, D.; Bokov, A. A.; Ye, Z. -G.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11014

Local Structural Heterogeneity and Electromechanical Responses of Ferroelectrics: Learning from Relaxor Ferroelectrics
journal, July 2018

  • Li, Fei; Zhang, Shujun; Damjanovic, Dragan
  • Advanced Functional Materials, Vol. 28, Issue 37
  • DOI: 10.1002/adfm.201801504

Phase evolution in the ferroelectric relaxor Ba ( Ti 1 x , Zr x ) O 3 from atomistic simulations
journal, February 2019


Dielectric relaxation in gigahertz region and phase transition of BaTiO3-based ceramics
journal, July 2006

  • Li, Jianyong; Kakemoto, Hirofumi; Wada, Satoshi
  • Journal of Applied Physics, Vol. 100, Issue 2
  • DOI: 10.1063/1.2216884

Transparent ferroelectric crystals with ultrahigh piezoelectricity
journal, January 2020


Dynamics of antiferroelectric phase transition in PbZrO 3
journal, November 2017


Stabilization of Polar Nanoregions in Pb-free Ferroelectrics
journal, May 2018


The Dielectric Relaxation in Solid Solutions BaTi 1-x Zr x O 3
journal, May 2009


Slush-like polar structures in single-crystal relaxors
journal, June 2017

  • Takenaka, Hiroyuki; Grinberg, Ilya; Liu, Shi
  • Nature, Vol. 546, Issue 7658
  • DOI: 10.1038/nature22068