Electronic structure of the fullerene polymer consisting of singly bonded units of fullerene molecules is a sensitive function of the charge state of the monomers. Assuming quasi-one-dimensionality of this pearl-necklace structure, we describe the electronic bands of this system with a simple quantum-mechanical method that was used previously to describe the ladder-type fullerene polymer of doubly bonded cages. We find that the electronic structure of these two polymers is quite similar, though in the ladder structure the cages bear one negative charge, while in the “pearl-necklace” polymer they are triply charged. Both systems exhibit a breakdown of translational periodicity via dimerization, which is manifested in a charge- or spin-density wave and leads to a band opening of 0.1 eV or less at the Fermi level. The calculations confirm the existence of a prolongated covalent bond between the singly bonded polymeric units.
|Number of pages||4|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - Jan 1 1998|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics