Abstract

The electronic structure of C60 doped with thep-elements B-F, Al-Cl and Ga-Br located at the centre of the cage has been analyzed within the local density approximation using the von Barth-Hedin exchange correlation potential. The calculations show the existence ofn- andp-type doped Buckminsterfullerene, where a partly occupied level occurs in the band gap, similar to the donor or acceptor levels in traditionally doped semiconductors.

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