Energy partition in C60-diamond-(111)-surface collisions: A molecular-dynamics simulation

Phys. Rev. B 49, 11409 – Published 15 April 1994
P. Blaudeck, Th. Frauenheim, H.-G. Busmann, and T. Lill


Collisions of C60 with hydrogen-terminated diamond-(111) surfaces were studied by molecular-dynamics simulations based on a semiempirical density-functional approach. The dominating factor determining the energy partition in the C60-diamond-(111)-surface collision at constant impact energy is the orientation of the molecules relative to the initial impact points on the surface. In agreement with the experimental results using velocity-selective time-of-flight mass spectroscopy the center-of-mass kinetic energies after the collisions are distributed around a mean value which is only slightly affected by the initial impact energy. The final energy content of the C60’s increases with the incident kinetic energy, depends strongly on the impact scattering topology, and yields a narrow distribution with increasing mean values in correlation with lower center-of-mass kinetic energies.


  • Received 26 October 1993
  • Published in the issue dated 15 April 1994

© 1994 The American Physical Society

Authors & Affiliations

P. Blaudeck and Th. Frauenheim

  • Department of Physics, University of Chemnitz-Zwickau, D-09009 Chemnitz, Germany

H.-G. Busmann and T. Lill

  • Freiburger Materialforschungsinstitut der Universitaet, D-79104 Freiburg, Stefan-Meier-Strasse 31a, Germany

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