Hidden orders and (anti-)magnetoelectric effects in Cr₂O₃ and α-Fe₂O₃

JSON Export

{
  "revision": 6, 
  "id": "1926", 
  "created": "2023-10-05T08:29:10.565367+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:x7-6w", 
    "status": "published", 
    "title": "Hidden orders and (anti-)magnetoelectric effects in Cr\u2082O\u2083 and \u03b1-Fe\u2082O\u2083", 
    "mcid": "2023.152", 
    "license_addendum": null, 
    "_files": [
      {
        "description": "tar.gz archive with all data needed to run the DFT calculations and generate the results discussed in the paper", 
        "key": "DFT_calculations.tar.gz", 
        "size": 249653817, 
        "checksum": "md5:6f505360f021e205b34c006fb42262f3"
      }, 
      {
        "description": "text file containing a description of the tar.gz archive", 
        "key": "README.txt", 
        "size": 7193, 
        "checksum": "md5:e6112998606f3b14b528ba4ccc486c9f"
      }
    ], 
    "owner": 1150, 
    "_oai": {
      "id": "oai:materialscloud.org:1926"
    }, 
    "keywords": [
      "ERC", 
      "H2020", 
      "Multipoles", 
      "Magnetoelectricity"
    ], 
    "conceptrecid": "1925", 
    "is_last": true, 
    "references": [
      {
        "type": "Preprint", 
        "doi": "https://doi.org/10.48550/arXiv.2303.00513", 
        "url": "arXiv:2303.00513", 
        "comment": "Preprint to the paper where the data and plots are discussed", 
        "citation": "X. H. Verbeek, A. Urru, N. A. Spaldin, arXiv:2303.00513 (2022)"
      }, 
      {
        "type": "Journal reference", 
        "doi": "10.1103/PhysRevResearch.5.L042018.", 
        "comment": "Paper where the data is discussed", 
        "citation": "X. H. Verbeek, A. Urru, and N. A. Spaldin, Phys. Rev. Res. 5, p. L042018 (2023)"
      }
    ], 
    "publication_date": "Oct 05, 2023, 16:33:48", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "1926", 
    "description": "We present ab initio calculations of hidden magnetoelectric multipolar order in Cr\u2082O\u2083 and its iron-based analogue, \u03b1-Fe\u2082O\u2083. We show the presence of hidden antiferroically-ordered magnetoelectric multipoles in both the prototypical magnetoelectric material Cr\u2082O\u2083, and centrosymmetric \u03b1-Fe\u2082O\u2083, which has the same crystal structure as Cr\u2082O\u2083, but a different magnetic dipolar ordering. In turn, we predict anti-magnetoelectric effects, in which local magnetic dipole moments are induced in opposite directions under the application of an external electric field, to create an additional antiferromagnetic ordering. We confirm the predicted induced moments using first-principles calculations. Our results demonstrate the existence of hidden magnetoelectric multipoles leading to local linear magnetoelectric responses even in centrosymmetric materials, where a net bulk linear magnetoelectric effect is forbidden by symmetry.  This archive contains input files and some output files necessary for creating all the data discussed in our paper with the title: Hidden orders and (anti-)Magnetoelectric Effects in Cr\u2082O\u2083 and \u03b1-Fe\u2082O\u2083.", 
    "version": 1, 
    "contributors": [
      {
        "email": "xverbeek@ethz.ch", 
        "affiliations": [
          "Materials Department, ETH Z\u00fcrich, CH-8093 Z\u00fcrich, Z\u00fcrich, Switzerland"
        ], 
        "familyname": "Verbeek", 
        "givennames": "Xanthe Henderike"
      }, 
      {
        "email": "andrea.urru@mat.ethz.ch", 
        "affiliations": [
          "Materials Department, ETH Z\u00fcrich, CH-8093 Z\u00fcrich, Z\u00fcrich, Switzerland"
        ], 
        "familyname": "Urru", 
        "givennames": "Andrea"
      }, 
      {
        "email": "nspaldin@ethz.ch", 
        "affiliations": [
          "Materials Department, ETH Z\u00fcrich, CH-8093 Z\u00fcrich, Z\u00fcrich, Switzerland"
        ], 
        "familyname": "Spaldin", 
        "givennames": "Nicola Ann"
      }
    ], 
    "edited_by": 1150
  }, 
  "updated": "2023-11-12T14:01:09.374080+00:00"
}