{
  "annotation_id": "c5e0985a-24bc-4f63-bdd6-445f39ab8c75",
  "date_created": "2026-03-02T18:01:17.696000Z",
  "date_modified": "2026-03-02T18:01:17.696000Z",
  "file_hash": "246a291186e184e690d4937bde8b99c92ff6a63c0f5baf4336e6839868e50960",
  "private": false,
  "record": {
    "abstract": "The stability and structures of Titanium-doped Gold clusters AunTi (n=2-16)\nare studied under the relativistic all-electron density-functional\ncalculations. It is found that the most stable structures of AunTi clusters\nwith n=2-7 are planar. A structural transition of AunTi clusters from\ntwo-dimensional to three-dimensional geometry occurs at n=8, while the AunTi\n(n=12-16) prefer gold cage structure with Ti atom locating at the center. The\nsize-dependence of cluster properties such as binding energy, energy gaps,\nionization potentials, and electron affinities have been calculated and\nanalyzed. The Au14Ti cluster is found to have special stability, which may be\ndue to the electron shell effects. Further calculations are performed to study\ncluster-cluster interaction between two Au14Ti clusters.",
    "arxiv_id": "physics/0702026",
    "authors": [
      "Ming-Xing Chen",
      "X. H. Yan"
    ],
    "categories": [
      "physics.atm-clus"
    ],
    "title": "Density functional calculations for stability of Titanium-doped Gold   clusters AunTi (n=2-16)",
    "url": "https://arxiv.org/abs/physics/0702026"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "1670f161-53e5-4c66-97c9-6c5369fe3d4d",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}