ANISOTROPIC COMPRESSION IN DIMER C60 FULLERENE SOLID

Abstract

Dimer C60 solids are monoclinic crystals with molecular longer axis aligned along the c-axis. A simple model based on atom-atom potential used to calculate various bulk, structural and thermodynamic properties of this fullerite, has also been used to investigate the pressure and temperature dependent properties such as bulk modulus, lattice and orientational structure, phonon dispersion relations, Gruneisen parameters, heat capacity and entropy. An important feature of this solid evidently concerns its anisotropic pressure compression. We calculate these directional compressibilities and find the anisotropy for pressure compression very significant. It is expected that the properties of dimer solid C60 calculated here will motivate further experimentation on this solid.