Rare-earth magnetic nitride perovskites


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{
  "id": "304", 
  "revision": 1, 
  "metadata": {
    "description": "We propose perovskite nitrides with magnetic rare-earth metals as novel materials with a range of technological applications. These materials appear to be thermodynamically stable and, in spite of possessing different crystal structures and different atomic environments, they retain the magnetic moment of the corresponding elemental rare-earth metal. We find both magnetic metals and semiconductors, with a wide range of magnetic moments and some systems posses record-high magnetic anisotropy energies. Further tuning of the electronic and magnetic properties can also be expected by doping with other rare-earths or by creating solid solutions. The synthesis of these exotic materials with unusual compositions would extend not only the accepted stability domain of perovskites but also open the way for a series of applications enabled by their rich physics.", 
    "is_last": true, 
    "doi": "10.24435/materialscloud:2020.0008/v1", 
    "id": "304", 
    "publication_date": "Jan 20, 2020, 00:00:00", 
    "title": "Rare-earth magnetic nitride perovskites", 
    "references": [
      {
        "comment": "Paper in which the crystalline structures are used. These structures display considerable magnetic anisotropy energies. ", 
        "url": "https://doi.org/10.1088%2F2515-7639%2Fab083e", 
        "type": "Journal reference", 
        "citation": "J. A. Flores-Livas, R. Sarmiento-P\u00e9rez, S. Botti, S. Goedecker and M. A. L. Marques, Journal of Physics: Materials, Volume 2, Number 2,  (2019)", 
        "doi": "10.1088/2515-7639/ab083e"
      }
    ], 
    "_oai": {
      "id": "oai:materialscloud.org:304"
    }, 
    "edited_by": 98, 
    "contributors": [
      {
        "familyname": "Flores-Livas", 
        "givennames": "Jos\u00e9 A.", 
        "affiliations": [
          "Department of Physics, Universit\u00e4t Basel, Klingelbergstr. 82, 4056 Basel, Switzerland"
        ], 
        "email": "jflores.livas@gmail.com"
      }, 
      {
        "familyname": "Sarmiento-P\u00e9rez", 
        "givennames": "Rafael", 
        "affiliations": [
          "Department of Chemistry, Universit\u00e4t Basel, Klingelbergstr. 80, 4056 Basel, Switzerland"
        ]
      }, 
      {
        "familyname": "Botti", 
        "givennames": "Silvana", 
        "affiliations": [
          "Institut f\u00fcr Festk\u00f6rpertheorie und -optik, Friedrich-Schiller-Universit\u00e4t Jena, Max-Wien-Platz 1, D-07743 Jena, Germany"
        ]
      }, 
      {
        "familyname": "Goedecker", 
        "givennames": "Stefan", 
        "affiliations": [
          "Department of Physics, Universit\u00e4t Basel, Klingelbergstr. 82, 4056 Basel, Switzerland"
        ]
      }, 
      {
        "familyname": "Marques", 
        "givennames": "Miguel A. L.", 
        "affiliations": [
          "Institut f\u00fcr Physik, Martin-Luther-Universit\u00e4t Halle-Wittenberg, D-06099 Halle, Germany"
        ]
      }
    ], 
    "license": "Creative Commons Attribution 4.0 International", 
    "conceptrecid": "303", 
    "keywords": [
      "SNSF", 
      "MARVEL/DD1", 
      "Nitride Perovskites ", 
      "Rare-Earth Metals", 
      "Magnetic anisotropy energy"
    ], 
    "owner": 61, 
    "license_addendum": "", 
    "mcid": "2020.0008/v1", 
    "version": 1, 
    "_files": [
      {
        "description": "README.TXT", 
        "key": "README.TXT", 
        "checksum": "md5:6b6d514987236e88ab86ec7246af46bf", 
        "size": 495
      }, 
      {
        "description": "Energetically preferable structures for a series of lanthanides nitrides, in CIF format.", 
        "key": "Nitride_Perovskites_REM.zip", 
        "checksum": "md5:4385bc0522cdfaf748c3f127c35a35c2", 
        "size": 20459
      }
    ], 
    "status": "published"
  }, 
  "created": "2020-05-12T13:53:39.344319+00:00", 
  "updated": "2020-01-20T00:00:00+00:00"
}