Quasi-one-dimensional sliding ferroelectricity in NbI$_4$

Fuente: arXiv
Enregistré dans:
Détails bibliographiques
Auteurs principaux: Ding, Ning, Ye, Haoshen, Dong, Shuai
Format: Preprint
Publié: 2024
Sujets:
Accès en ligne:
Tags: Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
_version_ 1866916350309433344
author Ding, Ning
Ye, Haoshen
Dong, Shuai
author_facet Ding, Ning
Ye, Haoshen
Dong, Shuai
contents Sliding ferroelectricity was originally proposed to elucidate the out-of-plane polarization generated by a specific stacking arrangement of non-polar van der Waals layers. However, the concept of sliding ferroelectricity can be generalized to more geometries. Here, the NbI$_4$ bulk is theoretical demonstrated as a quasi-one-dimensional sliding ferroelectric material, which exhibits a polarization of $0.11$ $μ$C/cm$^2$ perpendicular to the Nb's chains. The most possible ferroelectric switching path is found to be via the interchain sliding along the chain direction, while other paths like Peierls-dimerization of Nb pairs may also work. Moreover, its polarization can be augmented for $82\%$ by hydrostatic pressure up to $10$ GPa, beyond which NbI$_4$ becomes a polar metal. In addition, the negative longitudinal piezoelectricity is also predicted.
format Preprint
id arxiv_https___arxiv_org_abs_2407_12235
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Quasi-one-dimensional sliding ferroelectricity in NbI$_4$
Ding, Ning
Ye, Haoshen
Dong, Shuai
Materials Science
Mesoscale and Nanoscale Physics
Strongly Correlated Electrons
Sliding ferroelectricity was originally proposed to elucidate the out-of-plane polarization generated by a specific stacking arrangement of non-polar van der Waals layers. However, the concept of sliding ferroelectricity can be generalized to more geometries. Here, the NbI$_4$ bulk is theoretical demonstrated as a quasi-one-dimensional sliding ferroelectric material, which exhibits a polarization of $0.11$ $μ$C/cm$^2$ perpendicular to the Nb's chains. The most possible ferroelectric switching path is found to be via the interchain sliding along the chain direction, while other paths like Peierls-dimerization of Nb pairs may also work. Moreover, its polarization can be augmented for $82\%$ by hydrostatic pressure up to $10$ GPa, beyond which NbI$_4$ becomes a polar metal. In addition, the negative longitudinal piezoelectricity is also predicted.
title Quasi-one-dimensional sliding ferroelectricity in NbI$_4$
topic Materials Science
Mesoscale and Nanoscale Physics
Strongly Correlated Electrons
url https://arxiv.org/abs/2407.12235