An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation displacements

T. Pramanik; Cho Sandar Htet; Alicia Manjón-Sanz; J. Liu; S. Ullah; J. Kong; C. Babori; A. Brézard-Oudot; L. Daniel; S. T. Misture; A. Pramanick

doi:10.1016/j.scriptamat.2024.116426

An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation displacements

T. Pramanik, Cho Sandar Htet, Alicia Manjón-Sanz, J. Liu, S. Ullah, J. Kong, C. Babori, A. Brézard-Oudot, L. Daniel, S. T. Misture, A. Pramanick

Powder Diffraction

Research output: Contribution to journal › Article › peer-review

Abstract

Materials with antipolar-polar transformation are attractive for their large functional responses. However, the antipolar state remains controversial in many materials. For example, recent studies on archetypical antiferroelectric (AFE) materials indicate an incomplete compensation of antiparallel dipoles, which prompted their alternative definition as ferrielectric. Here, we investigated the origin of the ferrielectric (FIE) state in a classical AFE material using X-ray and neutron total scattering. We show that the FIE state arises from 3-dimensional modulation of the cation-centric electric dipoles, which can be viewed as periodic arrangement of 180° twin boundaries with non-Ising characteristics.

Original language	English
Article number	116426
Journal	Scripta Materialia
Volume	256
DOIs	https://doi.org/10.1016/j.scriptamat.2024.116426
State	Published - Feb 1 2025

Funding

Funding from Innovation and Technology Commission of Hong Kong through the project ITF05521 is gratefully acknowledged. TP, SU and JK gratefully acknowledges funding support from research Talent Hub scheme of the Innovation and Technology Commission of Hong Kong.

Funders	Funder number
Innovation and Technology Commission - Hong Kong	ITF05521
Innovation and Technology Commission - Hong Kong

Keywords

Ferrielectric
Pair distribution function
neutron/X-ray diffraction

Access to Document

10.1016/j.scriptamat.2024.116426

Cite this

@article{835444dbf17146f6a94e7aa7e66d1073,

title = "An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation displacements",

abstract = "Materials with antipolar-polar transformation are attractive for their large functional responses. However, the antipolar state remains controversial in many materials. For example, recent studies on archetypical antiferroelectric (AFE) materials indicate an incomplete compensation of antiparallel dipoles, which prompted their alternative definition as ferrielectric. Here, we investigated the origin of the ferrielectric (FIE) state in a classical AFE material using X-ray and neutron total scattering. We show that the FIE state arises from 3-dimensional modulation of the cation-centric electric dipoles, which can be viewed as periodic arrangement of 180° twin boundaries with non-Ising characteristics.",

keywords = "Ferrielectric, Pair distribution function, neutron/X-ray diffraction",

author = "T. Pramanik and Htet, {Cho Sandar} and Alicia Manj{\'o}n-Sanz and J. Liu and S. Ullah and J. Kong and C. Babori and A. Br{\'e}zard-Oudot and L. Daniel and Misture, {S. T.} and A. Pramanick",

note = "Publisher Copyright: {\textcopyright} 2024 The Author(s)",

year = "2025",

month = feb,

day = "1",

doi = "10.1016/j.scriptamat.2024.116426",

language = "English",

volume = "256",

journal = "Scripta Materialia",

issn = "1359-6462",

publisher = "Elsevier",

}

TY - JOUR

T1 - An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation displacements

AU - Pramanik, T.

AU - Htet, Cho Sandar

AU - Manjón-Sanz, Alicia

AU - Liu, J.

AU - Ullah, S.

AU - Kong, J.

AU - Babori, C.

AU - Brézard-Oudot, A.

AU - Daniel, L.

AU - Misture, S. T.

AU - Pramanick, A.

PY - 2025/2/1

Y1 - 2025/2/1

N2 - Materials with antipolar-polar transformation are attractive for their large functional responses. However, the antipolar state remains controversial in many materials. For example, recent studies on archetypical antiferroelectric (AFE) materials indicate an incomplete compensation of antiparallel dipoles, which prompted their alternative definition as ferrielectric. Here, we investigated the origin of the ferrielectric (FIE) state in a classical AFE material using X-ray and neutron total scattering. We show that the FIE state arises from 3-dimensional modulation of the cation-centric electric dipoles, which can be viewed as periodic arrangement of 180° twin boundaries with non-Ising characteristics.

AB - Materials with antipolar-polar transformation are attractive for their large functional responses. However, the antipolar state remains controversial in many materials. For example, recent studies on archetypical antiferroelectric (AFE) materials indicate an incomplete compensation of antiparallel dipoles, which prompted their alternative definition as ferrielectric. Here, we investigated the origin of the ferrielectric (FIE) state in a classical AFE material using X-ray and neutron total scattering. We show that the FIE state arises from 3-dimensional modulation of the cation-centric electric dipoles, which can be viewed as periodic arrangement of 180° twin boundaries with non-Ising characteristics.

KW - Ferrielectric

KW - Pair distribution function

KW - neutron/X-ray diffraction

UR - http://www.scopus.com/inward/record.url?scp=85207323313&partnerID=8YFLogxK

U2 - 10.1016/j.scriptamat.2024.116426

DO - 10.1016/j.scriptamat.2024.116426

M3 - Article

AN - SCOPUS:85207323313

SN - 1359-6462

VL - 256

JO - Scripta Materialia

JF - Scripta Materialia

M1 - 116426

ER -

An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation displacements

Abstract

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this