• Title of article

    Stability of fcc (1 1 0) transition and noble metal surfaces

  • Author/Authors

    Vitos، نويسنده , , L and Johansson، نويسنده , , B and Skriver، نويسنده , , H.L and Kollلr، نويسنده , , J، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    4
  • From page
    156
  • To page
    159
  • Abstract
    We have used density functional theory in conjunction with the full charge density linear muffin-tin orbitals method and a cluster expansion based on interatomic pair potentials to derive the energetics of vicinal surfaces on transition and noble metals, and we apply the results in a study of the stability of the fcc (1 1 0) facet of these metals against the formation of `rippledʹ surfaces consisting of vicinal facets with Miller indices (2λ+1,2λ+1,1) and (2λ+1,2λ+1,1̄).
  • Keywords
    surface energy , Density functional calculation , Vicinal surface , surface reconstruction
  • Journal title
    Computational Materials Science
  • Serial Year
    2000
  • Journal title
    Computational Materials Science
  • Record number

    1678445