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Enhanced spin Hall ratio in two-dimensional semiconductors

Jiaqi Zhou1*, Samuel Poncé2, Jean-Christophe Charlier1

1 Institute of Condensed Matter and Nanosciences (IMCN), Université catholique de Louvain (UCLouvain), B-1348, Louvain-la-Neuve, Belgium

2 European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences (IMCN), Université catholique de Louvain (UCLouvain), B-1348, Louvain-la-Neuve, Belgium

* Corresponding authors emails: jiaqi.zhou@uclouvain.be
DOI10.24435/materialscloud:g7-pk [version v2]

Publication date: Sep 06, 2024

How to cite this record

Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier, Enhanced spin Hall ratio in two-dimensional semiconductors, Materials Cloud Archive 2024.134 (2024), https://doi.org/10.24435/materialscloud:g7-pk

Description

The conversion efficiency from charge current to spin current via spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art ab initio calculations involving both charge conductivity and spin Hall conductivity, we report the SHRs of the III-V monolayer family, revealing an ultrahigh ratio of 0.58 in the hole-doped GaAs monolayer. In order to find more promising 2D materials, a descriptor for high SHR is proposed and applied to a high-throughput database, which provides the fully-relativistic band structures and Wannier Hamiltonians of 216 exfoliable monolayer semiconductors and has been released to the community. Among potential candidates for high SHR, the MXene monolayer Sc₂CCl₂ is identified with the proposed descriptor and confirmed by computation, demonstrating the descriptor validity for high SHR materials discovery.

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MD5md5:348b3e5cc8643368113f402f5aa12d78
186.6 MiB Data for this work.
README.txt
MD5md5:a330c004bc7e4ef7b576bb510cfbb6c6
4.2 KiB Description of the data package.

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution Non Commercial Share Alike 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Preprint (Preprint where the data is discussed.)
ArXiv, 2308.13692v2 (2024) doi:10.48550/arXiv.2308.13692

Keywords

Quantum ESPRESSO Wannier functions two-dimensional spin Hall effect electron-phonon coupling

Version history:

2024.134 (version v2) [This version] Sep 06, 2024 DOI10.24435/materialscloud:g7-pk
2023.131 (version v1) Aug 25, 2023 DOI10.24435/materialscloud:z5-xz