arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2604.23969cond-mat.mtrl-scicond-mat.mes-hall
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三维拓扑铁电体

Three-dimensional topological ferroelectrics

Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences(中国科学院物理研究所,北京凝聚态物理国家实验室);University of Chinese Academy of Sciences(中国科学院大学);Condensed Matter Physics Data Center, Chinese Academy of Sciences(中国科学院凝聚态物理数据中心)

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

AI总结:

本文预测了新的铋单卤化物结构Bi4Br4和Bi4I4,证实其为三维拓扑铁电绝缘体,通过第一性原理计算验证其稳定性,并展示了其在自旋电子器件中的应用潜力。

摘要:

三维(3D)拓扑铁电(FE)绝缘体,其中拓扑和铁电序自然共存,使场控自旋电子器件成为可能。本文预测了一种新的铋单卤化物结构Bi4Br4和Bi4I4,称为γ相,并证明其是理想的3D拓扑铁电绝缘体。系统的第一性原理计算证实了γ-Bi4X4(X=Br,I)的稳定性和可合成性。尽管非中心对称的γ相晶格属于空间群Cmc2_1,没有基于对称性的分类/指标,但非平凡拓扑可以通过自旋陈数(SCN)来表征。自旋分辨的威尔逊环显示s_z方向的SCN C_s_z=2,表明其为三维量子自旋霍尔绝缘体状态。通过层间滑动可切换z方向极化,仅需跨越小的能量势垒。最后,我们设计了基于双层薄膜的电控自旋过滤器件,可生成可切换的自旋极化电流。结合单相晶体、较大的能隙和对铁电开关的鲁棒带拓扑,这些铋单卤化物成为内在3D拓扑铁电绝缘体的原型,为在自旋电子器件中实现新非易失功能提供了理想平台。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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