A model Monte Carlo simulations of the stability of hcp/fcc structures of C60 and C70 fullerene crystals

The presented MC simulations aim to get more insight into the fundamental problem concerning the relative stability of hcp and fcc structures formed by orientationally disordered molecular crystals. In particular, an influence of the anisotropy of molecular shape has been be analyzed. As a first step, the crystal energy has been calculated for both, hcp and fcc, systems.