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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 PbZrO 3 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 PbZrO 3-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 Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1577118
Report Number(s):
IS-J-10076
Journal ID: ISSN 0031-9007; PRLTAO
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. doi: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. doi:10.1103/PhysRevLett.123.217602.
@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 = {2019},
month = {11}
}

Journal Article:
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