ELECTRONIC-STRUCTURE OF LINEAR-CHAINS OF FULLERENES

The band structure of linear chains of fullerene molecules is calculat ed as a function of the intermolecular pi-electron overlap integral T, which increases under increasing external pressure. Chains consisting of neutral (C-60) and charged (C-60(-)) molecules are studied. It is shown that there is a sharp transition from a metal (or narrow-gap sem iconductor) to an insulator (with band gap similar to 1 eV) with incre asing T. The proposed model makes it possible to describe the formatio n of solid-carbon structures, containing chains of covalently bound fu llerene molecules, with different pressure-dependent semiconductor pro perties. (C) 1997 American Institute of Physics.