EFFECTS OF ORIENTATION ON THE ELECTRONIC STRUCTURE OF K3C60

Abstract

Electronic structure of K 3 C 60 in the ordered bidirectional and quadridirectional structure (space group [Formula: see text]) and in the disordered bidirectional structure (space group [Formula: see text]) is examined. As compared with the unidirectional structure (space group [Formula: see text]), the lower-energy peak of the conduction band in the [Formula: see text] structures is split into two, the higher-energy peak is strongly depressed, and the value of DOS at the Fermi level (N(E F )) is enhanced. Orientational disorder almost completely washs out the structure in the DOS of the conduction band; however, the value of N(E F ) differs slightly from that in the unidirectional structure.