Sliding Flexoelectricity in Two-Dimensional van der Waals Systems
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arXiv
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| Autores principales: | , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2024
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| _version_ | 1866929445930008576 |
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| author | He, Ri Wang, Hua Deng, Fenglin Gao, Yuxiang Zhang, Binwen Shi, Yubai Li, Run-Wei Zhong, Zhicheng |
| author_facet | He, Ri Wang, Hua Deng, Fenglin Gao, Yuxiang Zhang, Binwen Shi, Yubai Li, Run-Wei Zhong, Zhicheng |
| contents | Two-dimensional sliding ferroelectrics, with their unique stacking degrees of freedom, offer a different approach to manipulate polarization by interlayer sliding. Bending sliding ferroelectrics inevitably leads to interlayer sliding motion, thus altering stacking orders and polarization properties. Here, by using machine-learning force field, we investigate the effects of bending deformation on geometries, stackings, energies, and polarizations in sliding ferroelectric bilayer h-BN and 3R-MoS2. We predict that bent ferroelectric bilayer forms irreversible kinks instead of arc when the bending angle exceeds a critical value. We demonstrate that the kinks originate from the competition between bending energy and interlayer van der Waals energy. The kink contains a ferroelectric domain wall that reverses the polarization, effectively inducing a flexoelectric effect. We term this phenomenon "sliding flexoelectricity" to distinguish it from conventional strain-gradient-induced flexoelectricity. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2408_00445 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Sliding Flexoelectricity in Two-Dimensional van der Waals Systems He, Ri Wang, Hua Deng, Fenglin Gao, Yuxiang Zhang, Binwen Shi, Yubai Li, Run-Wei Zhong, Zhicheng Materials Science Mesoscale and Nanoscale Physics Two-dimensional sliding ferroelectrics, with their unique stacking degrees of freedom, offer a different approach to manipulate polarization by interlayer sliding. Bending sliding ferroelectrics inevitably leads to interlayer sliding motion, thus altering stacking orders and polarization properties. Here, by using machine-learning force field, we investigate the effects of bending deformation on geometries, stackings, energies, and polarizations in sliding ferroelectric bilayer h-BN and 3R-MoS2. We predict that bent ferroelectric bilayer forms irreversible kinks instead of arc when the bending angle exceeds a critical value. We demonstrate that the kinks originate from the competition between bending energy and interlayer van der Waals energy. The kink contains a ferroelectric domain wall that reverses the polarization, effectively inducing a flexoelectric effect. We term this phenomenon "sliding flexoelectricity" to distinguish it from conventional strain-gradient-induced flexoelectricity. |
| title | Sliding Flexoelectricity in Two-Dimensional van der Waals Systems |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2408.00445 |