Band gaps in diamond-graphite hybrids

Sen, Rahul ; Sumathy, R. ; Rao, C. N. R. (1996) Band gaps in diamond-graphite hybrids Journal of Materials Research, 11 (12). pp. 2961-2963. ISSN 0884-2914

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Official URL: http://journals.cambridge.org/action/displayAbstra...

Related URL: http://dx.doi.org/10.1557/JMR.1996.0375

Abstract

The HOMO-LUMO gaps have been estimated in a graphite-like sp2 carbon network with a progressive increase in the fraction of sp3 carbons, taking into account several possible structural alternatives for each composition. The gap is shown to increase exponentially with the fraction of sp3 carbons. Accordingly, the gap in a diamond-like sp3 network decreases with the increase in the fraction of sp2 carbons.

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