Cluster Diffusion and Island Formation on fcc(111) Metal Surfaces Studied by Atomic Scale Computer Simulations

  • Karsten Albe
  • Michael Müller
Conference paper
Part of the ISNM International Series of Numerical Mathematics book series (ISNM, volume 149)


The role of cluster diffusion on Pt and Ir surfaces is discussed in the context of island nucleation on metals. By using molecular dynamics simulations based on a newly developed bond-order potential, the diffusion of Pt2 on a Pt(111) surface is studied. We observe that dimer diffusion proceeds via concerted motion on an hcp-bridge position towards the neighboring fcc-site. The importance of cluster diffusion is then investigated for the case of Ir island nucleation on Ir(111). We study the role of varying deposition rates on the island formation using an extended kinetic lattice Monte Carlo method that takes into account cluster diffusion and includes stacking fault positions. Our results reveal the strong influence of the deposition rate on island densities and shapes.


Kinetic Monte Carlo Molecular Dynamics Cluster Diffusion Island Shapes 


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. [1]
    K. Albe, K. Nord Lund, and R.S. Aver back, Modelling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon, Phys. Rev. B 65 (2002), 195124.CrossRefGoogle Scholar
  2. [2]
    M.I. Baskes, Modified embedded-atom potentials for cubic materials and impurities, Phys. Rev. B 46 (1992), 2727.CrossRefGoogle Scholar
  3. [3]
    A. Bogicevic, J. Strömquist, and B.I. Lundqvist, Low-symmetry diffusion barriers in homoepitaxial growth of Al(111), Phys. Rev. Lett. 81 (1998), 637.CrossRefGoogle Scholar
  4. [4]
    Ghyslain Boisvert and Laurent J. Lewis, Diffusion of Pt dimers on pt(111), Phys. Rev. B 59 (1999), no. 5.Google Scholar
  5. [5]
    H. Brune, H. Röder, K. Bromann, K. Kern, J. Jacobsen, P. Stoltze, K. Jacobsen, and J. Nørskov, Anisotropic corner diffusion as origin for dendritic growth on hexagonal substrates, Surf. Sci. 349 (1996), L115.CrossRefGoogle Scholar
  6. [6]
    C. Busse, C. Polop, M. Müller, K. Albe, U. Linke, and T. Michely, Stacking-fault nucleation on Ir(111), Phys. Rev. Lett. 91 (2003), 056103.PubMedGoogle Scholar
  7. [7]
    J. Jacobsen, K.W. Jacobsen, and J.K. Nørskov, Island shapes in homoepitaxial growth of Pt(111), Surf. Sci. 359 (1996), 37.CrossRefGoogle Scholar
  8. [8]
    H. Jónsson, Theoretical studies of atomic-scale processes relevant to crystal growth, Ann. Rev. Phys. Chem. 51 (2000), 623.CrossRefGoogle Scholar
  9. [9]
    G.L. Kellogg, Field-ion microscope studies of single-atom surface-diffusion and cluster nucleation on metal-surfaces, Surf. Sci. Rep. 21 (1994), 1.CrossRefGoogle Scholar
  10. [10]
    K. Kyuno, A. Gölzhäuser, and G. Ehrlich, Growth and the diffusion of platinum atoms and dimers on Pt(111) Surf. Sci. 397 (1998), 191.CrossRefGoogle Scholar
  11. [11]
    T. Michely and J. Krug, Islands, Mounds and Atoms, Springer-Verlag, Berlin, 2003.Google Scholar
  12. [12]
    M. Müller, K. Albe, C. Busse, A. Thoma, and Th. Michely, unpublished.Google Scholar
  13. [13]
    S. Ovesson, A. Bogicevic, and B. Lundqvist, Origin of compact triangular islands in metal-on-metal growth, Phys. Rev. Lett. 83 (1999), 2608.CrossRefGoogle Scholar
  14. [14]
    M.J. Rost, T. Michely, and G. Comsa, Comment on “Self-diffusion and dynamic behavior of atoms at step edges on iridium surfaces”, Phys. Rev. B 57 (1998), 1992.CrossRefGoogle Scholar
  15. [15]
    S.C. Wang and G. Ehrlich, Structure, stability, and surface diffusion of clusters: Irx on Ir(111), Surf. Sci. 239 (1990), 301.CrossRefGoogle Scholar

Copyright information

© Birkhäuser Verlag Basel/Switzerland 2005

Authors and Affiliations

  • Karsten Albe
    • Michael Müller
      • 1
    1. 1.Institut für MaterialwissenschaftDarmstadtGermany

    Personalised recommendations