RhombohedralC60spolymer:mA semiconducting solid carbon structure

Abstract

We study the two-dimensionally polymerized rhombohedral phase of ${\mathrm{C}}_{60}$ by using the local-density approximation in the density-functional theory. The electronic structure of this hybrid solid carbon of ${\mathrm{sp}}^2$ and ${\mathrm{sp}}^3$ C atoms is found to be essentially three dimensional with a narrow fundamental gap due to a strong interlayer interaction, which also stabilizes the system considerably. Possible modifications of this elemental semiconductor are also discussed.