Topological interfacial states in ferroelectric domain walls of two-dimensional bismuth

Fuente: arXiv
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Main Authors: Luo, Wei, Zhong, Yang, Yu, Hongyu, Xie, Muting, Chen, Yingwei, Xiang, Hongjun, Bellaiche, Laurent
Format: Preprint
Published: 2023
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_version_ 1866917309878108160
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
id 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