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Structural Models of Negatively Curved Graphitic Carbon

Published online by Cambridge University Press:  25 February 2011

S. J. Townsend ,
T. J. Lenosky ,
D. A. Muller ,
C. S. Nichols  and
V. Elser
S. J. Townsend
Affiliation:
Cornell University, Department of Physics, Ithaca, New York 14853
T. J. Lenosky
Affiliation:
Cornell University, Department of Physics, Ithaca, New York 14853
D. A. Muller
Affiliation:
Cornell University, Department of Physics, Ithaca, New York 14853
C. S. Nichols
Affiliation:
Cornell University, Department of Materials Science and Engineering, Ithaca, New York 14853
V. Elser
Affiliation:
Cornell University, Department of Physics, Ithaca, New York 14853
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Abstract

We have developed an automatic computational method for generating graphitic carbon structures. We propose models for crystalline and amorphous forms of carbon consisting of a single negatively curved graphitic sheet forming an extended structure. Stability and elastic properties are computed using an energy estimate fit to local density approximation(LDA) calculations. These forms of carbon are found to be more stable than C60. The radial distribution function for the random structures closely matches that of films of amorphous carbon grown on NaCI substrates from sublimated graphite.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 270: Symposium M – Novel Forms of Carbon , 1992 , 229
Copyright
Copyright © Materials Research Society 1992

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References

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