Topological interfacial states in ferroelectric domain walls of two-dimensional bismuth
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2023
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| _version_ | 1866917309878108160 |
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| author | Luo, Wei Zhong, Yang Yu, Hongyu Xie, Muting Chen, Yingwei Xiang, Hongjun Bellaiche, Laurent |
| author_facet | Luo, Wei Zhong, Yang Yu, Hongyu Xie, Muting Chen, Yingwei Xiang, Hongjun Bellaiche, Laurent |
| contents | Using machine learning methods, we explore different types of domain walls in the recently unveiled single-element ferroelectric, the bismuth monolayer [Nature 617, 67 (2023)]. Remarkably, our investigation reveals that the charged domain wall configuration exhibits lower energy compared to the uncharged domain wall structure. We also demonstrate that the experimentally discovered tail-to-tail domain wall maintains topological interfacial states caused by the change in the Z_2 number between ferroelectric and paraelectric states. Interestingly, due to the intrinsic built-in electric fields in asymmetry DW configurations, we find that the energy of topological interfacial states splits, resulting in an accidental band crossing at the Fermi level. Our study suggests that domain walls in two-dimensional bismuth hold potential as a promising platform for the development of ferroelectric domain wall devices. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2308_04633 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Topological interfacial states in ferroelectric domain walls of two-dimensional bismuth Luo, Wei Zhong, Yang Yu, Hongyu Xie, Muting Chen, Yingwei Xiang, Hongjun Bellaiche, Laurent Materials Science Mesoscale and Nanoscale Physics Applied Physics Computational Physics Using machine learning methods, we explore different types of domain walls in the recently unveiled single-element ferroelectric, the bismuth monolayer [Nature 617, 67 (2023)]. Remarkably, our investigation reveals that the charged domain wall configuration exhibits lower energy compared to the uncharged domain wall structure. We also demonstrate that the experimentally discovered tail-to-tail domain wall maintains topological interfacial states caused by the change in the Z_2 number between ferroelectric and paraelectric states. Interestingly, due to the intrinsic built-in electric fields in asymmetry DW configurations, we find that the energy of topological interfacial states splits, resulting in an accidental band crossing at the Fermi level. Our study suggests that domain walls in two-dimensional bismuth hold potential as a promising platform for the development of ferroelectric domain wall devices. |
| title | Topological interfacial states in ferroelectric domain walls of two-dimensional bismuth |
| topic | Materials Science Mesoscale and Nanoscale Physics Applied Physics Computational Physics |
| url | https://arxiv.org/abs/2308.04633 |