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Band gaps in diamond-graphite hybrids

Sen, R and Sumathy, R and Rao, CNR (1996) Band gaps in diamond-graphite hybrids. In: Journal of Materials Research, 11 (12). pp. 2961-2963.

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The HOMO-LUMO gaps have been estimated in a graphite-like sp(2) carbon network with a progressive increase in the fraction of sp(3) carbons, taking into account several possible structural alternatives for each composition. The gap is shown to increase exponentially with the fraction of sp(3) carbons. Accordingly, the gap in a diamond-like sp(3) network decreases with the increase in the fraction of sp(2) carbons.

Item Type: Journal Article
Publication: Journal of Materials Research
Publisher: Cambridge university press
Additional Information: Copyright of this article belongs to Cambridge university press.
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Date Deposited: 21 Apr 2011 05:36
Last Modified: 21 Apr 2011 05:36
URI: http://eprints.iisc.ac.in/id/eprint/37046

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