{
  "annotation_id": "2c996889-4259-4e86-81ad-49df3e2142d3",
  "date_created": "2026-03-02T18:00:42.748000Z",
  "date_modified": "2026-03-02T18:00:42.748000Z",
  "file_hash": "3ebe360ade83c70f0bb7469a3099b74c85da4a63f25ce743d7e68d7bf083327d",
  "private": false,
  "record": {
    "abstract": "To get insight into the electronic properties of PrFe4P12 skutterudite, band\nelectronic structure calculations, Total and Projected Density of States,\nCrystal Orbital Overlap Population and Mulliken Population Analysis were\nperformed. The energy bands yield a semi metallic behavior with a direct gap\n(at gamma) of 0.02 eV. Total and Projected Density of States provided\ninformation of the contribution from each orbital of each atom to the total\nDensity of States. Moreover, the bonding strength between some atoms within the\nunit cell was obtained. Mulliken Population analysis suggests ionic behavior\nfor this compound.",
    "arxiv_id": "physics/0303115",
    "authors": [
      "Donald H. Galvan"
    ],
    "categories": [
      "physics.comp-ph",
      "physics.chem-ph"
    ],
    "doi": "10.1142/S0217979203022866",
    "title": "Electronic structure calculations for PrFe4P12 filled skutterudite using   Extended Huckel tight-binding method",
    "url": "https://arxiv.org/abs/physics/0303115"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "f92406bc-3984-4a49-b1de-0bb757b0c4e6",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}