{"title":"Quasi-one-dimensional sliding ferroelectricity in NbI4","authors":"Ning Ding, Haoshen Ye, Shuai Dong","doi":"10.1103/physrevb.110.024115","DOIUrl":null,"url":null,"abstract":"Sliding ferroelectricity was originally proposed to elucidate the out-of-plane polarization generated by a specific stacking arrangement of nonpolar van der Waals layers. However, the concept of sliding ferroelectricity can be generalized to more geometries. Here, the <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>NbI</mi><mn>4</mn></msub></math> bulk is theoretically demonstrated as a quasi-one-dimensional sliding ferroelectric material, which exhibits a polarization of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>0.11</mn><mspace width=\"0.28em\"></mspace><mi>µ</mi><mi mathvariant=\"normal\">C</mi><mo>/</mo><msup><mrow><mi>cm</mi></mrow><mn>2</mn></msup></mrow></math> 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 such as Peierls dimerization of Nb pairs may also work. Moreover, its polarization can be augmented for <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>82</mn><mo>%</mo></mrow></math> by hydrostatic pressure up to <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>10</mn><mspace width=\"0.28em\"></mspace><mi>GPa</mi></mrow></math>, beyond which <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>NbI</mi><mn>4</mn></msub></math> becomes a polar metal. In addition, negative longitudinal piezoelectricity is also predicted.","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":null,"pages":null},"PeriodicalIF":3.7000,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Review B","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1103/physrevb.110.024115","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Physics and Astronomy","Score":null,"Total":0}
引用次数: 0
Abstract
Sliding ferroelectricity was originally proposed to elucidate the out-of-plane polarization generated by a specific stacking arrangement of nonpolar van der Waals layers. However, the concept of sliding ferroelectricity can be generalized to more geometries. Here, the bulk is theoretically demonstrated as a quasi-one-dimensional sliding ferroelectric material, which exhibits a polarization of 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 such as Peierls dimerization of Nb pairs may also work. Moreover, its polarization can be augmented for by hydrostatic pressure up to , beyond which becomes a polar metal. In addition, negative longitudinal piezoelectricity is also predicted.
期刊介绍:
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