Layer Structure of Doped C60

Abstract

It is found in this letter that the doped C60 possesses layer-structure in both bond distortions and electronic states. There are eight layers of carbon atoms in the charged C60, and its symmetry is reduced from Ih to D5d. This layer-structure indicates that there exist four nonequivalent groups of carbon atoms in the doped C60. It contrasts with the pristine C60, in which all the sixty carbon atoms are equivalent. One observable consequence of such layer-structure is the split of its NMR spectrum with the ratio 1:1:2:2.