Electronic and optical properties of the Vanderbilt-Tersoff model of negative-curvature fullerene
- 15 October 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 46 (15) , 9910-9912
- https://doi.org/10.1103/physrevb.46.9910
Abstract
The electronic structure and the optical properties of a model of negative-curvature fullerene suggested by Vanderbilt and Tersoff are studied by detailed first-principles local-density calculations. It is shown that this hypothetical material is a semiconductor with an indirect band gap of 0.48 eV and a large ratio of electron-hole effective masses. The optical properties are very different from those of graphite or fullerene.
Keywords
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