非磁性二维材料中自旋霍尔电导率的高通量计算
High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials
AI总结：
本文对426个非磁性单层进行自动化Wannier化并高通量计算本征SHC，发现多种高转换效率与非传统SHE材料，并建立高质量Wannier哈密顿量数据库。
摘要：
二维（2D）材料中的自旋霍尔效应（SHE）有望有效操控自旋角动量并识别拓扑性质。在本工作中，我们对426个非磁性单层（包括210个金属和216个绝缘体）实施了含自旋轨道耦合的自动化Wannier化。本征自旋霍尔电导率（SHC）已被计算，以寻找表现出新颖性质的候选材料。我们发现，由于较低的晶体对称性，Y$_2$C$_2$I$_2$具有倾斜自旋的非传统SHE；Ta$_4$Se$_2$是具有异常高SHC的金属单层；而半金属Y$_2$Br$_2$具有由能带中的反交叉诱导的高效电荷–自旋转换。此外，我们研究了量子自旋霍尔绝缘体的量子化SHC。本工作提供了高质量的二维材料Wannier哈密顿量数据库，并为将二维材料集成到高性能、低功耗自旋电子器件中铺平了道路。
英文摘要：
Spin Hall effect (SHE) in two-dimensional (2D) materials is promising to effectively manipulate spin angular momentum and identify topological properties. In this work, we implemented an automated Wannierization with spin-orbit coupling on 426 non-magnetic monolayers including 210 metal and 216 insulators. Intrinsic spin Hall conductivity (SHC) has been calculated to find candidates exhibiting novel properties. We discover that Y$_2$C$_2$I$_2$ has an unconventional SHE with canted spin due to low crystal symmetry, Ta$_4$Se$_2$ is a metallic monolayer with exceptionally high SHC, and the semi-metal Y$_2$Br$_2$ possesses efficient charge-to-spin conversion induced by anti-crossing in bands. Moreover, quantum spin Hall insulators are investigated for quantized SHC. The present work provides a high-quality Wannier Hamiltonian database of 2D materials, and paves the way for the integration of 2D materials into high-performance and low-power-consumption 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。
