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Rhombohedral C 60 spolymer:mA semiconducting solid carbon structure

1997; American Physical Society; Volume: 55; Issue: 7 Linguagem: Inglês

10.1103/physrevb.55.4039

1095-3795

Susumu Okada, Susumu Saito,

Boron and Carbon Nanomaterials Research

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.