Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators

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{
  "metadata": {
    "is_last": false, 
    "version": 1, 
    "title": "Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators", 
    "keywords": [
      "DFT", 
      "MARVEL/DD3", 
      "MARVEL", 
      "first principles", 
      "2D materials", 
      "quantum spin Hall", 
      " topological insulator", 
      "DFPT", 
      "spin-orbit"
    ], 
    "description": "Quantum spin Hall insulators (QSHIs) make up a class of two-dimensional materials with a finite electronic band gap in the bulk and gapless helical edge states.  Some of the phenomena that can be hosted in these materials, from one-dimensional low-dissipation electronic transport to spin filtering, could be promising for many technological applications in the fields of electronics, spintronics, and topological quantum computing. Nevertheless, the rarity of two-dimensional materials that can exhibit nontrivial topological order at room temperature hinders development. In the publication, we report on our screening of a comprehensive database we recently identified of 1825 monolayers that can be exfoliated from experimentally known compounds to search for novel quantum spin Hall insulators.  In this entry we provide the AiiDA database with the calculations of the DFT band structures (both with and without spin-orbit coupling) and the DFPT phonon dispersions for the QSHI candidates that we identify. All the data are also displayed in the dedicated DISCOVER section \"2D topological insulators\" https://www.materialscloud.org/discover/2dtopo/dashboard/ptable .", 
    "license": "Creative Commons Attribution 4.0 International", 
    "references": [
      {
        "url": "https://doi.org/10.1021/acs.nanolett.9b02689", 
        "type": "Journal reference", 
        "citation": "A. Marrazzo, M. Gibertini, D. Campi, N. Mounet, N. Marzari, Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators, Nano Lett. 2019, 19, 12, 8431-8440", 
        "comment": "", 
        "doi": "10.1021/acs.nanolett.9b02689"
      }
    ], 
    "doi": "10.24435/materialscloud:2019.0081/v1", 
    "conceptrecid": "263", 
    "publication_date": "Nov 20, 2019, 00:00:00", 
    "edited_by": 98, 
    "_oai": {
      "id": "oai:materialscloud.org:264"
    }, 
    "contributors": [
      {
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland "
        ], 
        "email": "antimo.marrazzo@epfl.ch", 
        "familyname": "Marrazzo", 
        "givennames": "Antimo"
      }, 
      {
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland, and Department of Quantum Matter Physics, University of Geneva, 24 Quai Ernest Ansermet, CH-1211 Geneva, Switzerland"
        ], 
        "familyname": "Gibertini", 
        "givennames": "Marco"
      }, 
      {
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland "
        ], 
        "familyname": "Campi", 
        "givennames": "Davide"
      }, 
      {
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland "
        ], 
        "familyname": "Mounet", 
        "givennames": "Nicolas"
      }, 
      {
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland "
        ], 
        "familyname": "Marzari", 
        "givennames": "Nicola"
      }
    ], 
    "owner": 34, 
    "license_addendum": "", 
    "mcid": "2019.0081/v1", 
    "_files": [
      {
        "size": 773, 
        "checksum": "md5:2011249c64409a36911713a36701fd67", 
        "description": "README where the content of the AiiDA export files is explained in more detail, including the group names.", 
        "key": "README.txt"
      }, 
      {
        "size": 135727911, 
        "checksum": "md5:2be285f29f9f72e7c5d317223810a5a8", 
        "description": "The AiiDA export files containing the DFT band structures (with and without spin-orbit coupling) and the DFPT phonon dispersions for the QSHI candidates, as described in the README.", 
        "key": "archive_MC.zip"
      }
    ], 
    "id": "264", 
    "status": "published"
  }, 
  "revision": 2, 
  "updated": "2020-07-31T14:39:27.866935+00:00", 
  "created": "2020-05-12T13:53:28.281825+00:00", 
  "id": "264"
}