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

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{
  "metadata": {
    "mcid": "2024.203", 
    "edited_by": 1115, 
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        "description": "Data of calculations.", 
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    "id": "2487", 
    "contributors": [
      {
        "email": "jiaqi.zhou@uclouvain.be", 
        "affiliations": [
          "Institute of Condensed Matter and Nanosciences, Universit\u00e9 catholique de Louvain, 1348 Louvain-la-Neuve, Belgium"
        ], 
        "givennames": "Jiaqi", 
        "familyname": "Zhou"
      }, 
      {
        "givennames": "Samuel", 
        "affiliations": [
          "European Theoretical Spectroscopy Facility and Institute of Condensed Matter and Nanosciences, Universit\u00e9 catholique de Louvain, 1348 Louvain-la-Neuve, Belgium"
        ], 
        "familyname": "Ponc\u00e9"
      }, 
      {
        "givennames": "Jean-Christophe", 
        "affiliations": [
          "Institute of Condensed Matter and Nanosciences, Universit\u00e9 catholique de Louvain, 1348 Louvain-la-Neuve, Belgium"
        ], 
        "familyname": "Charlier"
      }
    ], 
    "status": "published", 
    "title": "High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials", 
    "references": [
      {
        "type": "Journal reference", 
        "citation": "J. Zhou, S. Ponc\u00e9, J.-C. Charlier, arXiv:2501.02110 (2025)", 
        "url": "https://arxiv.org/abs/2501.02110"
      }
    ], 
    "license_addendum": null, 
    "license": "Creative Commons Attribution 4.0 International", 
    "doi": "10.24435/materialscloud:h0-jn", 
    "version": 1, 
    "_oai": {
      "id": "oai:materialscloud.org:2487"
    }, 
    "publication_date": "Dec 18, 2024, 10:03:04", 
    "keywords": [
      "spin Hall effect", 
      "2D materials", 
      "Wannier functions"
    ], 
    "description": "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\u2082C\u2082I\u2082 has an unconventional SHE with canted spin due to low crystal symmetry, Ta\u2084Se\u2082 is a metallic monolayer with exceptionally high SHC, and the semi-metal Y\u2082Br\u2082 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.", 
    "is_last": true, 
    "conceptrecid": "2486", 
    "owner": 1115
  }, 
  "revision": 6, 
  "updated": "2025-01-07T09:59:36.033976+00:00", 
  "id": "2487", 
  "created": "2024-12-17T15:57:22.776469+00:00"
}