Stability ofC60fullerite intercalation compounds

We construct a thermodynamic Born-Haber cycle to predict formation energies of donor- and acceptor-based ${\mathrm{C}}_{60}$ fullerite intercalation compounds with different stoichiometries. Energies associated with the individual steps in the cycle contain important related information such as the lattice constant, bulk modulus, and phonon spectra of the compounds. Our results indicate that alkali and alkaline-earth intercalated fullerite compounds are most stable.