Campus Units

Materials Science and Engineering, Ames Laboratory

Document Type

Article

Publication Version

Submitted Manuscript

Publication Date

2019

Journal or Book Title

arXiv

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.

Comments

This is a pre-print of the article Ma, Tao, Zhongming Fan, Bin Xu, Tae-Hoon Kim, Ping Lu, Laurent Bellaiche, Matthew J. Kramer, Xiaoli Tan, and Lin Zhou. "Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics." arXiv preprint arXiv:1909.02536 (2019). Posted with permission.

Copyright Owner

The Authors

Language

en

File Format

application/pdf

Published Version

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