Does Rigid C_(60) Have a Liquid Phase ? -- Density Functional Theory --

摘要

A density functional theory of freezing combined with an integral equation method is used to predict. The phase diagram of rigid C_(60) molecular system. It is found that the liquid phase does exist albeit in a narrow range of temperatures, in qualitative agreement with the result of the molecular dynamics simulations of Cheng et al but contrary to the Monte Carlo simulation result of Hagen et al.