Searching for the thinnest metallic wire

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{
  "id": "2085", 
  "updated": "2024-02-15T15:01:12.597995+00:00", 
  "metadata": {
    "version": 2, 
    "contributors": [
      {
        "givennames": "Chiara", 
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH - 1015 Lasuanne, Vaud, Switzerland", 
          "National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH - 1015 Lausanne, Vaud, Switzerland"
        ], 
        "email": "chiara.cignarella@epfl.ch", 
        "familyname": "Cignarella"
      }, 
      {
        "givennames": "Davide", 
        "affiliations": [
          "Universit\u00e0 degli studi di Milano Bicocca, Piazza dell'Ateneo Nuovo 1, 20126 Milano, Italy"
        ], 
        "email": "davide.campi@unimib.it", 
        "familyname": "Campi"
      }, 
      {
        "givennames": "Nicola", 
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH - 1015 Lasuanne, Vaud, Switzerland", 
          "National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH - 1015 Lausanne, Vaud, Switzerland", 
          "Laboratory for Materials Simulations, Paul Scherrer Institut (PSI), 5232 Villigen, Switzerland"
        ], 
        "email": "nicola.marzari@epfl.ch", 
        "familyname": "Marzari"
      }
    ], 
    "title": "Searching for the thinnest metallic wire", 
    "_oai": {
      "id": "oai:materialscloud.org:2085"
    }, 
    "keywords": [
      "One-dimensional materials", 
      "Exfoliable atomic chains", 
      "DFT", 
      "Peierls instability", 
      "EPFL", 
      "SNSF", 
      "MARVEL/DD3"
    ], 
    "publication_date": "Feb 15, 2024, 16:01:12", 
    "_files": [
      {
        "key": "thinnest-metallic-wire-v2.zip", 
        "description": "Record data folder in .zip format", 
        "checksum": "md5:496dd296aab76e48a7b0bab25f0ddaa7", 
        "size": 24598007
      }, 
      {
        "key": "README.txt", 
        "description": "Explanation of the records", 
        "checksum": "md5:56782d5c9b896ced1f99a31b0d0ca472", 
        "size": 6400
      }
    ], 
    "references": [
      {
        "comment": "Preprint of the paper where data are discussed and explained", 
        "doi": "https://doi.org/10.48550/arXiv.2312.16968", 
        "citation": "C. Cignarella, D. Campi, N. Marzari (2023)", 
        "url": "https://arxiv.org/abs/2312.16968", 
        "type": "Preprint"
      }
    ], 
    "description": "One-dimensional materials have gained much attention in the last decades: from carbon nanotubes to ultrathin nanowires, to few-atom atomic chains, these can all display unique electronic properties and great potential for next-generation applications. Exfoliable bulk materials could naturally provide a source for one-dimensional wires with well defined structure and electronics. Here, we explore a database of one-dimensional materials that could be exfoliated from experimentally known three-dimensional Van-der-Waals compounds, searching metallic wires that are resilient to Peierls distortions and could act as vias or interconnects for future downscaled electronic devices. As the one-dimensional nature makes these wires particularly susceptible to dynamical instabilities, we carefully characterise vibrational properties to identify stable phases and characterize electronic and dynamical properties. Our search identifies several novel and stable wires; notably, we identify what could be the thinnest possible exfoliable metallic wire, CuC\u2082, coming a step closer to the ultimate limit in materials downscaling.", 
    "status": "published", 
    "license": "Creative Commons Attribution Non Commercial 4.0 International", 
    "conceptrecid": "1799", 
    "is_last": true, 
    "mcid": "2024.32", 
    "edited_by": 576, 
    "id": "2085", 
    "owner": 1065, 
    "license_addendum": null, 
    "doi": "10.24435/materialscloud:xh-za"
  }, 
  "revision": 2, 
  "created": "2024-02-15T14:50:50.793366+00:00"
}