Theoretical study on intermolecular coupling in a one-dimensional C60 polymer

The band structures of one-dimensional C-60 polymers are calculated using the self-consistent field crystal orbital method. Based on the calculated band structures, the intermolecular electron-phonon coupling in one-dimensional C-60 polymers is estimated by means of the mean-held approximation and the deformation potential theory. It is found that the intermolecular coupling is weak, being the same order of magnitude as those estimated in the alkali-metal doped three-dimensional C-60 crystals. The influence of the coupling on the superconductivity and Peierl's phase transition is also discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.