Lattice dynamics of the fullerenesMxC60

Abstract

Lattice dynamical calculations of the phonon density of states of external modes are reported for K 3 C 60 , Rb 3 C 60 , and Rb 6 C 60 using three different models of transferable interatomic potentials. On comparison with the experimental reported data, an interatomic potential consisting of Coulomb and short range interactions has been found most suitable to explain the phonon density of states of the systems studied. Calculations using the rigid molecular ion model have enabled assignment of various important features in the experimental phonon spectra in terms of the vibrations of different species.

HREELS study of the intercalation of K atoms in C60 monolayers

“…In addition to modifying the intramolecular vibrations because of charge transfer, the intercalation of alkali atoms in the fullerite lattice gives rise to new extramolecular phonons. Raman [9], high-resolution electron energy loss spectroscopy (HREELS) [10,11], and INS studies [12,13], as well as theoretical investigations [12][13][14][15] have focussed on these excitations in fulleride, like K-and Rb-doped C 60 compounds. In particular, very intense, dipoleactive modes were observed by HREELS in potassium fullerides and found to be directly related to the alkali concentration [11].…”

Revealing the anomalous nonequilibrium carrier relaxation dynamics in C₆₀-related materials

“…for K 3 C 60 (Rb 3 C 60 ) [15]. These results unveil the carrier relaxation dynamics of the C 60 crystals.…”