A molecular force field for the study of the dynamics of graphite has been reported earlier (Mani and Ramani 1974). In the present paper we present calculations of the single phonon density of states and the lattice specific heat. Most of the peaks in the frequency distribution function have been identified and classified using symmetry-required critical points. The validity of the force field used has also been discussed.
Volume 96, 2022
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode