Elsevier

Surface Science

Volume 347, Issues 1–2, 10 February 1996, Pages 215-227
Surface Science

Surface science
Simulation of ballistic effects during scattering under glancing angles of incidence from crystal surfaces

https://doi.org/10.1016/0039-6028(95)00933-7Get rights and content

Abstract

A direct comparison of the results of molecular dynamics (MD) and sequential binary collision (BCA) simulations of the scattering of 3 keV light (He) and heavy (Xe) particles from a Cu(111) surface along the [11̄0] direction under glancing incidence conditions is presented. Inelastic energy losses are neglected. Clear differences between the MD and BCA results are seen in the differential scattering distributions. The origin of these differences arises from approximations in the way “simultaneous” collisions between the projectile and several nearby surface atoms are treated in BCA-type simulations.

References (32)

  • H.J. Andrä et al.

    Nucl. Instrum. Methods

    (1980)
  • J.P. Biersack et al.

    Nucl. Instrum. Methods

    (1980)
  • H. Niehus et al.

    Surf. Sci. Rep.

    (1993)
    D.J. O'Connor
  • D.M. Danailov et al.

    Vacuum

    (1993)
  • W. Mix et al.

    Nucl. Instrum. Methods B

    (1991)
  • A. Bilić et al.

    Surf. Sci.

    (1994)
  • W. Mix et al.

    Surf. Sci.

    (1995)
  • J.P. Biersack et al.
  • U. van Slooten et al.

    Chem. Phys. Lett.

    (1991)
  • G.D. Alton et al.

    Radiat. Eff. Def. Solids

    (1993)
  • T.C.M. Horn et al.

    Chem. Phys.

    (1991)
  • U. van Slooten et al.

    Surf. Sci.

    (1991)
  • R. Kaufmann et al.

    Radiat. Eff.

    (1979)
  • D.J. O'Connor, computer code SABRE, to be...
  • J.W. Rabalais

    CRC Rev. Solid State Mater. Sci.

    (1988)
  • M. Posselt et al.
  • Cited by (25)

    • Proton-silicon interaction potential extracted from high-resolution measurements of crystal rainbows

      2015, Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
      Citation Excerpt :

      If this method is applied to different axial channels of a thin crystal, it will be possible to deduce an average rainbow potential to accurately simulate the ion penetration through a randomly oriented crystal of the same atomic composition. This method may be applied in analogous ways in other fields where the rainbow effect occurs and plays an important role, i.e., to nucleus-nucleus collisions [30–32], atom, ion or electron collisions with atoms or molecules [33,34], and atom, ion or electron scattering from crystal surfaces [35–39]. That would lead to more accurate interaction potentials in these fields.

    • Analysis of hydrogen adsorption and surface binding configuration on tungsten using direct recoil spectrometry

      2015, Journal of Nuclear Materials
      Citation Excerpt :

      In this sense, MD is a better computational approach to simulate this than binary collision models. While MD simulations are often considered impractical for simulating scattering, simplifying assumptions (as discussed by Danailov et al. [12]) can be incorporated to make the problem more tractable. We are developing simulations of ion scattering at grazing incidence along 〈1 0 0〉 and 〈1 1 0〉 surface channels that involve varying the amount of H present to match the measured surface coverage.

    • Fast atom diffraction during grazing scattering from surfaces

      2011, Progress in Surface Science
      Citation Excerpt :

      In a classical picture, at the rainbow angle Θrb, the differential cross section has a singularity, resulting in an enhancement of the flux for scattered particles, called “rainbow peak”. In recent years, rainbow scattering – well established for atom scattering from surfaces with large incident angles [14,68,81,97–100] – was employed also in grazing scattering of fast atoms and ions under axial surface channeling conditions [101–104] for valuable tests of the interaction potentials for fast projectiles interacting with surfaces [105–116]. In those studies it could be shown that, e.g., for the surface of ionic crystals the ionicity of lattice atoms has to be taken into account for the description of the projectile-surface potential derived from a superposition of interatomic pair potentials [110,116].

    • Characterization of the Ne-Al scattering potential using low energy ion scattering maps

      2011, Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
      Citation Excerpt :

      Accurately modeling low energy ion-surface collisions requires the selection of an appropriate interatomic potential. Unless detailed sputtering or recoil calculations are of interest, the repulsive portion of the potential typically dominates the ion–solid interaction [18]. It is common practice to model the short-range repulsion with a screened Coulomb potential, and in the absence of prior knowledge of the surface structure the ZBL empirical fit is generally suitable for this purpose [19].

    • Dynamic dependence of the interaction potentials for grazing scattering of fast atoms from metal and insulator surfaces

      2009, Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
    • Angular spectra of rainbow scattering at glancing keV He<sup>+</sup> bombardment of NiAl(1 0 0) surface with transverse energies in the range 1-10 eV

      2007, Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
      Citation Excerpt :

      In this paper the row-model has been extended to include two-component targets and the calculated azimuthal spectra have been analyzed to deduce the interaction potential. Comparison of the scattering angles in simulated angle–angle distributions (scattering angle versus azimuthal angle) with the experimental spectra [8,9] allows the influence of the terraces and surface steps of the real target to be determined. The terraces and surface steps shrink the banana like angle–angle distribution.

    View all citing articles on Scopus
    View full text