{
  "annotation_id": "7e67a9e6-0aa4-4329-9fb3-4ea8195d169d",
  "date_created": "2026-03-02T18:00:38.492000Z",
  "date_modified": "2026-03-02T18:00:38.492000Z",
  "file_hash": "5e4e3ce770f39744cb82036e545871acd10b54ecec534fa99d3557e30707b453",
  "private": false,
  "record": {
    "abstract": "We have investigated the lowest-energy structures and electronic properties\nof the Au$_n$(n=2-20) clusters based on density functional theory (DFT) with\nlocal density approximation. The small Au$_n$ clusters adopt planar structures\nup to n=6. Tabular cage structures are preferred in the range of n=10-14 and a\nstructural transition from tabular cage-like structure to compact\nnear-spherical structure is found around n=15. The most stable configurations\nobtained for Au$_{13}$ and Au$_{19}$ clusters are amorphous instead of\nicosahedral or fcc-like, while the electronic density of states sensitively\ndepend on the cluster geometry. Dramatic odd-even alternative behaviors are\nobtained in the relative stability, HOMO-LUMO gaps and ionization potentials of\ngold clusters. The size evolution of electronic properties is discussed and the\ntheoretical ionization potentials of Au$_n$ clusters compare well with\nexperiments.",
    "arxiv_id": "physics/0112053",
    "authors": [
      "Jinlan Wang",
      "Guanghou Wang",
      "Jijun Zhao"
    ],
    "categories": [
      "physics.atm-clus"
    ],
    "doi": "10.1103/PhysRevB.66.035418",
    "title": "Density functional study of Au$_n$ (n=2-20) clusters: lowest-energy   structures and electronic properties",
    "url": "https://arxiv.org/abs/physics/0112053"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "8ae41780-21da-4ce2-9180-5802a5171426",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}