{
  "id": "1106.0968",
  "version": "v1",
  "published": "2011-06-06T06:39:07.000Z",
  "updated": "2011-06-06T06:39:07.000Z",
  "title": "Engineering the magnetic properties of the Mn$_{13}$ cluster by doping",
  "authors": [
    "Soumendu Datta",
    "Mukul Kabir",
    "Abhijit Mookerjee",
    "Tanusri Saha-Dasgupta"
  ],
  "comment": "8 pages, 9 figures, 2 tables",
  "journal": "Phys. Rev. B, 83, 075425 (2011)",
  "doi": "10.1103/PhysRevB.83.075425",
  "categories": [
    "cond-mat.mes-hall",
    "cond-mat.mtrl-sci",
    "physics.atm-clus"
  ],
  "abstract": "With a goal to produce giant magnetic moment in Mn$_{13}$ cluster which will be useful for practical applications, we have considered the structure and magnetic properties of pure Mn$_{13}$ cluster and substitutionally doped it with X = Ti, V, Cr, Fe, Co, Ni atom to produce Mn$_{12}$X clusters. We find that Ti and V substitutions in Mn$_{13}$ cluster are the most promising in terms of gaining substantial binding energy as well as achieving higher magnetic moment through ferromagnetic alignment of atom-centered magnetic moments. This has been demonstrated in terms of energetics and electronic properties of the clusters. For comparison, we have also studied the effect of N-capping of Mn$_{13}$ cluster, predicted in the earlier work [Phys. Rev. Lett. {\\bf 89}, 185504 (2002)] as a means to produce stable giant magnetic moment in Mn clusters upto cluster size of 5 Mn atoms.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2011-06-06T06:39:07.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "73.22.-f",
      "36.40.Cg",
      "71.15.Mb"
    ],
    "keywords": [
      "magnetic properties",
      "clusters upto cluster size",
      "mn clusters upto cluster",
      "produce giant magnetic moment",
      "produce stable giant magnetic moment"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "year": 2011,
      "month": "Feb",
      "volume": 83,
      "number": 7,
      "pages": "075425"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 8,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2011PhRvB..83g5425D"
    }
  }
}