Three-dimensional topological ferroelectrics
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arXiv
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866914509539508224 |
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| author | Sheng, Haohao Zhang, Sheng Fang, Zhong Weng, Hongming Wang, Zhijun |
| author_facet | Sheng, Haohao Zhang, Sheng Fang, Zhong Weng, Hongming Wang, Zhijun |
| contents | Three-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new structure of bismuth monohalides Bi4Br4 and Bi4I4, denoted $γ$ phase, and demonstrate that it is an ideal 3D topological FE insulator. Systematic first-principles calculations confirm the stability and synthesizability of $γ$-Bi4X4 (X=Br, I). Although the noncentrosymmetric $γ$ phase crystallizes in the space group $Cmc2_1$ with no symmetry-based classifications/indicators, the nontrivial topology can be characterized by the spin Chern number (SCN). Spin-resolved Wilson loops show the $s_z$ SCN $C_{s_z}=2$, indicating the spin-resolved topology of a 3D quantum spin Hall insulator state. The $z$-direction polarization can be switched by interlayer sliding, requiring only crossing a small energy barrier. Finally, we design an electrically controlled spin-filter device on bilayer films that can generate a switchable spin-polarized current. Combining a single-phase crystal, a sizable band gap, and robust band topology against FE switching, these bismuth monohalides serve as a prototype of intrinsic 3D topological FE insulators, providing an ideal platform for realizing new nonvolatile functionalities in spintronic devices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_23969 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Three-dimensional topological ferroelectrics Sheng, Haohao Zhang, Sheng Fang, Zhong Weng, Hongming Wang, Zhijun Materials Science Mesoscale and Nanoscale Physics Three-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new structure of bismuth monohalides Bi4Br4 and Bi4I4, denoted $γ$ phase, and demonstrate that it is an ideal 3D topological FE insulator. Systematic first-principles calculations confirm the stability and synthesizability of $γ$-Bi4X4 (X=Br, I). Although the noncentrosymmetric $γ$ phase crystallizes in the space group $Cmc2_1$ with no symmetry-based classifications/indicators, the nontrivial topology can be characterized by the spin Chern number (SCN). Spin-resolved Wilson loops show the $s_z$ SCN $C_{s_z}=2$, indicating the spin-resolved topology of a 3D quantum spin Hall insulator state. The $z$-direction polarization can be switched by interlayer sliding, requiring only crossing a small energy barrier. Finally, we design an electrically controlled spin-filter device on bilayer films that can generate a switchable spin-polarized current. Combining a single-phase crystal, a sizable band gap, and robust band topology against FE switching, these bismuth monohalides serve as a prototype of intrinsic 3D topological FE insulators, providing an ideal platform for realizing new nonvolatile functionalities in spintronic devices. |
| title | Three-dimensional topological ferroelectrics |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2604.23969 |