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Growth of ultrathin diamond-like carbon films by C60 cluster assembly: Molecular dynamics simulations

Author:
Ma, Tian-Bao   Hu, Yuan-Zhong   Wang, Hui  


Journal:
Diamond and Related Materials


Issue Date:
2009


Abstract(summary):

The deposition of C(60) clusters to produce cluster-assembled ultrathin diamond-like carbon (DLC) films is investigated using the molecular dynamics (MD) simulations. The deposition dynamics, especially the fragmentation process of the C(60) cluster are studied. The trajectory and instantaneous velocity of each atom in the cluster reveal a close relationship between cluster deposition and atom-by-atom deposition of DLC film. The atomistic structures, sp(3) fractions. and radial distribution functions of DLC films are quantitatively studied. For relatively low energies (E<20 eV/atom), the C(60) structural features preserve partially. The cluster-assembled films show big cavities, non-uniform structures, and rough surfaces. For relatively high energies (E>20 eV/atom), the films turn out to be structurally amorphous, densely-packed and sp(3) dominated. A marked discrepancy is observed between the sp(3) fraction of cluster and atom-by-atom deposited DLC films. The kinetic energy dissipation and the oblique incidences of freed atoms are the main reason for this discrepancy. (C) 2008 Elsevier B.V. All rights reserved.


Page:
88-94


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