1. Quasi-one-dimensional sliding ferroelectricity in NbI$_4$
- Author
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Ding, Ning, Ye, Haoshen, and Dong, Shuai
- Subjects
Condensed Matter - Materials Science ,Condensed Matter - Mesoscale and Nanoscale Physics ,Condensed Matter - Strongly Correlated Electrons - Abstract
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 $0.11$ $\mu$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., Comment: 8 pages, 6 figures
- Published
- 2024
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