High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials

Abstract

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.

19 pages, 4 figures, 2 tables

References in corpus (17)

• Observation of the Quantum Spin Hall Effect up to 100 Kelvin in a Monolayer Crystal
• One-dimensional Topological Edge States of Bismuth Bilayers
• Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study
• First-principles predictions of Hall and drift mobilities in semiconductors
• Spin-orbit torques in NbSe${}_2$/Permalloy bilayers
• Intrinsic Spin Hall Conductivity of MoTe2 and WTe2 Semimetals
• Intraband and interband spin-orbit torques in non-centrosymmetric ferromagnets
• Unconventional spin Hall effects in nonmagnetic solids
• Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction
• Doubled Quantum Spin Hall Effect with High-Spin Chern Number in $\alpha$-Antimonene and $\alpha$-Bismuthene
• The Wannier Function Software Ecosystem for Materials Simulations
• Projectability disentanglement for accurate and automated electronic-structure Hamiltonians
• Automated mixing of maximally localized Wannier functions into target manifolds
• Room-temperature anisotropic in-plane spin dynamics in graphene induced by PdSe${}_2$ proximity
• Controllable Spin Current in van der Waals Ferromagnet Fe3GeTe2
• A complementary screening for quantum spin Hall insulators in 2D exfoliable materials
• Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors

Cited by in corpus (1)

• Persistent spin texture preserved by local symmetry in graphene/WTe${}_2$ heterostructure