The electronic structure of polymerized fullerenes and dimerized heterofullerenes

\chem{Rb_1C_{60}} and dimerised using electron energy-loss spectroscopy in transmission. From the excitation spectra a reduced density of states is observed for polymerized . This is in contrast to and can be explained by the different type of \squt{doping} and by the different bonding between the fullerene molecules in the two systems. Additional information about the optical properties was obtained from the low energy loss function. Using a Kramers-Kronig analysis, the dielectric function, (), and the optical conductivity, (), have been derived. and the onset of the spectral weight have been compared between the polymer, the dimer and . This onset of spectral weight is found to be at and for o- and for , respectively. Received: 28 October 1996/Accepted: 13 December 1996     

The electronic structure of from high energy spectroscopy

We report the results of a detailed study of the occupied and unoccupied electronic structure of dimers of the new heterofullerene by means of photoemission and electron energy-loss spectroscopy. A close similarity is found between the electronic structures of pristine and with an additional broadening of the spectra in the former due to the distortion of the fullerene cage caused both by dimerization and the chemical substitution. Both the occupied and unoccupied electronic states, as well as the interband transitions between them, attest to the high degree of molecular character retained in the solid state. Comparison of the shake-up structures in the and X-ray photoemission spectra confirm that the highest lying occupied states in the heterofullerene have a strong degree of N character, whereas the lowest lying unoccupied states have mainly C character. We also present the optical conductivity of the heterofullerene (derived from the loss function), which shows an optical gap of 1.4 eV, some 0.4 eV smaller than that of . Received: 25 August 1997 / Revised: 22 September 1997 / Accepted: 16 October 1997