Metallic Sliding Ferroelectricity in Trilayer Penta-NiN2

IF 18.5 1区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Changsheng Hou, Yiheng Shen, Qian Wang
{"title":"Metallic Sliding Ferroelectricity in Trilayer Penta-NiN2","authors":"Changsheng Hou, Yiheng Shen, Qian Wang","doi":"10.1002/adfm.202421311","DOIUrl":null,"url":null,"abstract":"The experimental observation of metallic ferroelectricity has challenged the traditional understanding in recent years, as metallicity and ferroelectricity are historically considered mutually exclusive. This breakthrough has sparked significant interest in this field. However, the coexistence of metallicity and sliding ferroelectricity in 2D pentagonal materials has not been reported yet. Here, this is theoretically studied that the sliding ferroelectricity in metallic trilayer penta-NiN<sub>2</sub>. By scanning the configuration space of stacking patterns, a pair of polarized configurations is identified with strong out-of-plane ferroelectric polarization of ± 5.39 × 10<sup>−13</sup> C m<sup>−1</sup> and a low polarization switching barrier of 14.33 meV/atom together with a non-polarized configuration as the intermediate state for the ferroelectric transition. It is also found that there are substantial changes in the second harmonic generation of the stable configurations that would facilitate experimental observation. This work demonstrates the potential of pentagonal sheets as promising metallic sliding ferroelectrics, which would significantly expand the family of sliding ferroelectric materials.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"74 1","pages":""},"PeriodicalIF":18.5000,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Functional Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1002/adfm.202421311","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

The experimental observation of metallic ferroelectricity has challenged the traditional understanding in recent years, as metallicity and ferroelectricity are historically considered mutually exclusive. This breakthrough has sparked significant interest in this field. However, the coexistence of metallicity and sliding ferroelectricity in 2D pentagonal materials has not been reported yet. Here, this is theoretically studied that the sliding ferroelectricity in metallic trilayer penta-NiN2. By scanning the configuration space of stacking patterns, a pair of polarized configurations is identified with strong out-of-plane ferroelectric polarization of ± 5.39 × 10−13 C m−1 and a low polarization switching barrier of 14.33 meV/atom together with a non-polarized configuration as the intermediate state for the ferroelectric transition. It is also found that there are substantial changes in the second harmonic generation of the stable configurations that would facilitate experimental observation. This work demonstrates the potential of pentagonal sheets as promising metallic sliding ferroelectrics, which would significantly expand the family of sliding ferroelectric materials.

Abstract Image

三层Penta-NiN2的金属滑动铁电性
近年来,金属铁电性的实验观察挑战了传统的认识,因为金属丰度和铁电性历来被认为是相互排斥的。这一突破引起了人们对这一领域的极大兴趣。然而,二维五边形材料中金属丰度与滑动铁电性共存的现象尚未见报道。本文从理论上研究了金属三层五镍镍的滑动铁电性。通过扫描堆叠图的组态空间,确定了一对极化组态,具有±5.39 × 10−13 C m−1的强面外铁电极化和14.33 meV/原子的低极化开关势垒,并以非极化组态作为铁电跃迁的中间态。还发现,稳定构型的二次谐波产生有很大的变化,有利于实验观察。这项工作证明了五角形薄片作为有前途的金属滑动铁电体的潜力,这将大大扩展滑动铁电材料的家族。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Advanced Functional Materials
Advanced Functional Materials 工程技术-材料科学:综合
CiteScore
29.50
自引率
4.20%
发文量
2086
审稿时长
2.1 months
期刊介绍: Firmly established as a top-tier materials science journal, Advanced Functional Materials reports breakthrough research in all aspects of materials science, including nanotechnology, chemistry, physics, and biology every week. Advanced Functional Materials is known for its rapid and fair peer review, quality content, and high impact, making it the first choice of the international materials science community.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信