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Band gaps in diamond-graphite hybrids

Published online by Cambridge University Press:  31 January 2011

Rahul Sen ,
R. Sumathy  and
C. N. R. Rao
Rahul Sen
Affiliation:
Materials Research Centre and CSIR Centre of Excellence in Chemistry, Indian Institute of Science, Bangalore 560012, India, and Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064, India
R. Sumathy
Affiliation:
Materials Research Centre and CSIR Centre of Excellence in Chemistry, Indian Institute of Science, Bangalore 560012, India, and Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064, India
C. N. R. Rao*
Affiliation:
Materials Research Centre and CSIR Centre of Excellence in Chemistry, Indian Institute of Science, Bangalore 560012, India, and Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064, India
*
a) Author to whom all correspondence should be addressed.
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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.

Type
Articles
Information
Journal of Materials Research , Volume 11 , Issue 12 , December 1996 , pp. 2961 - 2963
Copyright
Copyright © Materials Research Society 1996

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References

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