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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. https://doi.org/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.
@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 = {2020},
month = {12}
}

Journal Article:
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