• Title of article

    Model potential nonlocal density functional calculations of small cobalt clusters, Con,n⩽5

  • Author/Authors

    Pereiro، نويسنده , , M and Manʹkovsky، نويسنده , , S and Baldomir، نويسنده , , D and Iglesias، نويسنده , , M and Mlynarski، نويسنده , , P and Valladares، نويسنده , , M and Suarez، نويسنده , , D and Castro، نويسنده , , M and Arias، نويسنده , , Juan E، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    5
  • From page
    118
  • To page
    122
  • Abstract
    The results of self-consistent nonlocal generalized gradient approximation (GGA) density functional calculations are reported for small cobalt clusters Con (2⩽n⩽5). An emphasis is made on a proper treatment of exchange and correlation effects. The enhancement of the magnetic moments as well as the bonding properties of these clusters are discussed in terms of the cluster size and symmetry. We compare some results from deMon–KS (D) module release 3.2 and the computational scheme of Sambe–Felton and Dunlap (SFD).
  • Journal title
    Computational Materials Science
  • Serial Year
    2001
  • Journal title
    Computational Materials Science
  • Record number

    1679146