• Accepted Paper

Three-dimensional topological ferroelectrics

Haohao Sheng, Sheng Zhang, Zhong Fang, Hongming Weng, and Zhijun Wang

Phys. Rev. Lett. - Accepted 23 September, 2026

DOI: https://doi.org/10.1103/nwyq-3t1f

Abstract

Three-dimensional topological ferroelectric (3D-TFE) insulators, in which topological and ferroelectric orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a previously unknown structure of bismuth monohalides Bi4X4 (X = Br, I), denoted the γ phase, and demonstrate that it is an ideal 3D-TFE insulator. Systematic first-principles calculations confirm the stability and synthesizability of γ-Bi4X4. Although the noncentrosymmetric γ phase crystallizes in the space group Cmc21 with no symmetry-based classifications/indicators, the nontrivial topology can be characterized by the nonzero spin Chern number. Moreover, the z-direction polarization can be switched by interlayer sliding with a small energy barrier. Finally, we design an electrically controlled spin-filter device 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-TFE insulators, providing an ideal platform for realizing new nonvolatile functionalities in spintronic devices.

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