Published online by Cambridge University Press: 15 February 2011
We have performed a constant temperature classical molecular dynamics simulation of the epitaxial growth of a C60 monolayer film deposited on the dimerized Si(100) surface. Our simulation, based on non-central many-body inter-atomic potentials, is capable of predicting the structural stability of the C60 film and the Si substrate and provides a theoretical basis for the results of a recently-performed STM- based experiment for this system.
Three-dimensional geometries have been generated on computer and used for the animation of the simulation runs.