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Computer Simulation of Si and C Atoms on SiC Surfaces

  • C C Matthai (a1), G J Moran (a1) and I Morrison (a1)


The molecular dynamics method employing an empirical potential energy function to describe the Si-C interaction has been used to determine the minimum energy sites for Si and C adatoms on C-terminated SiC (001) substrates. It is found that whereas a single C adatom lies on the carbon dimer bond, this site only becomes energetically favourable for silicon adatoms when they interact to form a dimer pair.



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