{
  "annotation_id": "c02a181f-3481-43f7-8d12-021a9e26e08d",
  "date_created": "2026-03-02T18:00:57.231000Z",
  "date_modified": "2026-03-02T18:00:57.231000Z",
  "file_hash": "660777361b2bb83c8482bbffba4eedf2b761b0e5dccf8594c56e9a30c7837ab9",
  "private": false,
  "record": {
    "abstract": "A crystalline form of LiBC is known which has been predicted to be\nsuperconducting, with a Tc comparable to that of MgB_2. In both compounds,\nsuperconductivity is enhanced by the presence of two electronic bands, one of\nwhich is close to a dimensional crossover. Here, we take a quantum chemical\napproach, and investigate the structural and electronic properties of small\nclusters (LiBC)_n (n=1-4). With increasing cluster size, we find that several\nproperties of crystalline LiBC evolve naturally from the corresponding\nproperties of the clusters. In particular, one may recognize the origin of the\nsolid bilayered structure, typical of magnesium diboride, and the character of\nthe electronic sigma-band, arising from the overlap of the atomic orbitals in\nthe in-plane BC rings. Two aspects especially emphasized are (a) the HOMO-LUMO\ngap as function of n and (b) the role of different spin multiplicity.",
    "arxiv_id": "physics/0503092",
    "authors": [
      "G. M. Lombardo",
      "A. Grassi",
      "G. Forte",
      "G. G. N. Angilella",
      "R. Pucci",
      "N. H. March"
    ],
    "categories": [
      "physics.atm-clus",
      "cond-mat.supr-con",
      "physics.chem-ph"
    ],
    "doi": "10.1016/j.physleta.2005.02.035",
    "journal_ref": "Phys. Lett. A 338 (2005) 303",
    "title": "Electronic structure of clusters (LiBC)_n: n=1, 2, 4",
    "url": "https://arxiv.org/abs/physics/0503092"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "73a9fc2c-2982-4ccb-8e6c-744f545ec254",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}