Surface charge-transfer states in C60 fullerene – microelectrostatic calculations

Self-consistent polarization field (SCPF) calculations are performed to obtain the polarization energies for the surface charge-transfer (CT) states in C60 fullerene microcrystals. The average polarization energy for the lowest CT state and its change with the microcrystal size is calculated. Relevance of the results to the observed absorption spectra of the fullerene film and microcrystals [J. Phys.: Condens. Matter 10 (1998) 2347] is discussed.