Atomic structures of semiconductor surfaces

JSON Export

{
  "revision": 1, 
  "id": "76", 
  "created": "2020-05-12T13:52:25.726693+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:2018.0022/v1", 
    "status": "published", 
    "title": "Atomic structures of semiconductor surfaces", 
    "mcid": "2018.0022/v1", 
    "license_addendum": "", 
    "_files": [
      {
        "description": "The archive contains the Quantum ESPRESSO inputs for the seven semiconductor surfaces.", 
        "key": "surfaces.tar.gz", 
        "size": 3108, 
        "checksum": "md5:ebe61f6518350bfa7859b030d72d485b"
      }
    ], 
    "owner": 75, 
    "_oai": {
      "id": "oai:materialscloud.org:76"
    }, 
    "keywords": [
      "semiconductor", 
      "surface", 
      "ionization potential"
    ], 
    "conceptrecid": "75", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "doi": "10.1103/PhysRevB.90.165133", 
        "url": "", 
        "comment": "", 
        "citation": "W. Chen, A. Pasquarello, Phys. Rev. B 90, 165133 (2014)"
      }
    ], 
    "publication_date": "Dec 10, 2018, 00:00:00", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "76", 
    "description": "This entry includes the surface structures of some prototypical semiconductors obtained via structural optimizations using the PBE density functional. The structures were initially used for benchmarking ionization potentials calculated with hybrid density functionals and GW approximation.\r\n\r\nSeven semiconductor surfaces are provided in the form of Quantum ESPRESSO input: Si(111), C(111),  GaAs(110), GaP(110), ZnSe(110), ZnO(10-10), and TiO2(110). ", 
    "version": 1, 
    "contributors": [
      {
        "email": "wei.chen@epfl.ch", 
        "affiliations": [
          "Chaire de Simulation \u00e0  l\u2019Echelle Atomique (CSEA), Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland"
        ], 
        "familyname": "Chen", 
        "givennames": "Wei"
      }, 
      {
        "email": "alfredo.pasquarello@epfl.ch", 
        "affiliations": [
          "Chaire de Simulation \u00e0  l\u2019Echelle Atomique (CSEA), Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland"
        ], 
        "familyname": "Pasquarello", 
        "givennames": "Alfredo"
      }
    ], 
    "edited_by": 98
  }, 
  "updated": "2018-12-10T00:00:00+00:00"
}