Quasi-one-dimensional sliding ferroelectricity in NbI$_4$
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arXiv
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| Auteurs principaux: | , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866916350309433344 |
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| 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 |