Chemical Physics Letters, Vol.377, No.1-2, 125-130, 2003
Inelastic neutron scattering study of the intermolecular vibrational modes of Ba4C60
We present inelastic neutron scattering measurements for the Ba4C60 superconductor. The translational part of the phonon density-of-states is fairly broad compared to that of A(3)C(60) (A= K, Rb) and extends to similar to17 meV. A lattice dynamical analysis using a phenomenological Born von Karman model indicates stronger interactions between the intercalated Ba ions and the C-60 anions than those in alkali metal fullerides. The results are in accordance with the strong hybridisation of the Ba 5d and C-60 t(1g) orbitals proposed by synchrotron X-ray diffraction measurements and ab initio calculations. (C) 2003 Elsevier B.V. All rights reserved.