Molecular Crystals and Liquid Crystals, Vol.426, 171-178, 2005
Simulation of fullerite C-60 polymerization under particle beam irradiation
A model has been suggested, and the simulation of the fullerite C-60 polymerization by electrons within. the energy range 0.15 divided by 1.5 keV has been carried out. The number of created intermolecular bonds was assumed to be proportional (with a coefficient k) to the number of excited, molecules. Polarization, exchange, and muffin-tin size were taken into account for elastic scattering. Ionization of deep atom levels was treated as a binary collision, and the inelastic scattering by valence electrons was described in the framework of the dielectric formalism.. The comparison of results of the simulation with experimental data gave the coefficient of proportionality k similar to (2 divided by 5).10(-3).