화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.265, 225-236, 1995
Orientational Ordering in Anisotropic Fullerides
A microscopic description of structural and orientational ordering of the high-symmetry anisotropic fullerides (AF) condensed state is presented. It is shown that the formed translational ordering removes degeneracy in the direction of preferred molecular orientation axis and leads to the appearance of the cross terms in pseudopotential inducing orientational ordering. Numerical calculations of the order parameters were carried out and phase transition temperature dependencies from molecular parameters were obtained. Using model parameters corresponding to C-70 molecule the estimation of the structure phase transition temperature was obtained T-PC-I approximate to 50K.