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Title: Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics

Abstract

Complex polar structures of incommensurate modulations (ICMs) are revealed in chemically modified PbZrO3 perovskite antiferroelectrics using advanced transmission electron microscopy techniques. The Pb-cation displacements, previously assumed to arrange in a fully compensated antiparallel fashion, are found to be either antiparallel, but with different magnitudes, or in a nearly orthogonal arrangement in adjacent stripes in the ICMs. Ab initio calculations corroborate the low-energy state of these arrangements. Our discovery corrects the atomic understanding of ICMs in PbZrO3-based perovskite antiferroelectrics.

Authors:
ORCiD logo [1];  [2];  [3];  [1];  [4];  [5];  [6];  [2]; ORCiD logo [6]
  1. Ames Lab., Ames, IA (United States)
  2. Iowa State Univ., Ames, IA (United States)
  3. Univ. of Arkansas, Fayetteville, AR (United States); Soochow Univ., Jiangsu (China)
  4. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  5. Univ. of Arkansas, Fayetteville, AR (United States)
  6. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1577118
Report Number(s):
IS-J-10076
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US2102135
Grant/Contract Number:  
DMR-1700014; AC02-07CH11358; N00014-17-1-2818; HR0011-15-2-0038
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 123; Journal Issue: 21; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Ma, Tao, Fan, Zhongming, Xu, Bin, Kim, Tae -Hoon, Lu, Ping, Bellaiche, Laurent, Kramer, Matthew J., Tan, Xiaoli, and Zhou, Lin. Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics. United States: N. p., 2019. Web. doi:10.1103/PhysRevLett.123.217602.
Ma, Tao, Fan, Zhongming, Xu, Bin, Kim, Tae -Hoon, Lu, Ping, Bellaiche, Laurent, Kramer, Matthew J., Tan, Xiaoli, & Zhou, Lin. Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics. United States. https://doi.org/10.1103/PhysRevLett.123.217602
Ma, Tao, Fan, Zhongming, Xu, Bin, Kim, Tae -Hoon, Lu, Ping, Bellaiche, Laurent, Kramer, Matthew J., Tan, Xiaoli, and Zhou, Lin. Tue . "Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics". United States. https://doi.org/10.1103/PhysRevLett.123.217602. https://www.osti.gov/servlets/purl/1577118.
@article{osti_1577118,
title = {Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics},
author = {Ma, Tao and Fan, Zhongming and Xu, Bin and Kim, Tae -Hoon and Lu, Ping and Bellaiche, Laurent and Kramer, Matthew J. and Tan, Xiaoli and Zhou, Lin},
abstractNote = {Complex polar structures of incommensurate modulations (ICMs) are revealed in chemically modified PbZrO3 perovskite antiferroelectrics using advanced transmission electron microscopy techniques. The Pb-cation displacements, previously assumed to arrange in a fully compensated antiparallel fashion, are found to be either antiparallel, but with different magnitudes, or in a nearly orthogonal arrangement in adjacent stripes in the ICMs. Ab initio calculations corroborate the low-energy state of these arrangements. Our discovery corrects the atomic understanding of ICMs in PbZrO3-based perovskite antiferroelectrics.},
doi = {10.1103/PhysRevLett.123.217602},
journal = {Physical Review Letters},
number = 21,
volume = 123,
place = {United States},
year = {Tue Nov 19 00:00:00 EST 2019},
month = {Tue Nov 19 00:00:00 EST 2019}
}

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Works referencing / citing this record:

TEM investigation of the domain structure in PbHfO3 and PbZrO3 antiferroelectric perovskites
journal, January 2020