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Carbon Schwarzites: Properties and Growth Simulation from Fullerene Fragments

Published online by Cambridge University Press:  10 February 2011

G. Benedek ,
L. Colombo ,
S. Spadoni ,
S. Gaito  and
P. Milani
G. Benedek
Affiliation:
Istituto Nazionale per la Fisica della Materia (INFM), UdR Milano-Università Department of Materials Science, via Emanueli 15, 1–20126 Milano, Italy
L. Colombo
Affiliation:
Istituto Nazionale per la Fisica della Materia (INFM), UdR Milano-Università Department of Materials Science, via Emanueli 15, 1–20126 Milano, Italy
S. Spadoni
Affiliation:
Istituto Nazionale per la Fisica della Materia (INFM), UdR Milano-Università Department of Materials Science, via Emanueli 15, 1–20126 Milano, Italy
S. Gaito
Affiliation:
Istituto Nazionale per la Fisica della Materia (INFM), UdR Milano-Università Department of Materials Science, via Emanueli 15, 1–20126 Milano, Italy
P. Milani
Affiliation:
Istituto Nazionale per la Fisica della Materia (INFM), UdR Milano-Università Department of Physics, via Celoria 16, 1–20133 Milano, Italy
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Abstract

We investigated by tight-binding molecular dynamics the structure, the bulk modulus and the electronic properties of the smallest four-branched carbon schwarzites fcc-(C28)2, fcc-(C36)2 and fcc-(C40)2 having the shape of a D minimal periodic surface. They are found to have a stability comparable to that of fullerene C60 and to exhibit alternative metallic and insulating characters, with an apparent relationship to their local geometry. We also studied the coalescence of fullerenic fragments and carbon clusters by following the evolution of the topological connectivity. Though different temperature variation protocols lead to irregular structures similar to random schwarzites, their connectivity is found to stabilize at values corresponding either to tubulene or three-branched schwarzites, indicating that long time evolution at constant connectivity is potentially able to yield regular shapes. Experiments on laser-induced transformations of fullerite occasionally yield branched tubular structures with a schwarzite shape.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 491: Symposium R – Tight Binding Approach to Computational Materials Science , 1997 , 529
Copyright
Copyright © Materials Research Society 1998

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References

REFERENCES

[1] Machay, A. L., Nature, 314, 604 (1985); The term “schwarzite” honors the work ofGoogle Scholar
Schwarz, H. A., Gesammelte Mathematische Abhaudlungen, Vols. 1, 2 (springer, Berlin) 1890, on the minimal periodic surfaces.Google Scholar
[2] Spadoni, S., Colombo, L., Milani, P. and Benedek, G., Europhys. Lett. 39, 269 (1997).Google Scholar
[3] Gaito, S., Colombo, L. and Benedek, G., to be published.Google Scholar
[4] Xu, C. H., Wang, C. Z., Chan, C. T. and Ho, K. M., J. Phys. Condens. Matter, 4, 6047 (1992).Google Scholar
[5] Colombo, L., in “Annual Reviews of Computational Physics”, Vol. IV, p. 147, edited by Stauffer, D. (World Scientific, Singapore, 1996).Google Scholar
[6] Milani, P. and Manfredini, M., Appl. phys. Lett., 68, 1769 (1996).Google Scholar
[7] Ferretti, M., Parisini, A., Manfredini, M. and Milani, P., Chem. Phys. Lett., 259, 432 (1996).Google Scholar
[8] Townsend, S. J., Lenosky, T. J., Mueller, D. A., Nichols, C. S. and Elser, V., Phys. Rev. Lett., 69, 921 (1992).Google Scholar