Abstract
A new crystalline allotropic form of carbon consisting of covalently bound fullerenes C36 of symmetry D 6h is suggested. The structure of the unit cell of this compound was simulated. The unit-cell parameters obtained (a=b=6.695 Å and c=6.763 Å) are close to experimental data. The band structure of the spectrum of valence electrons was calculated by the method of crystal orbitals. The bandgap was found to be ∼1.9 eV. The energy-band structure of quasi-one-dimensional macromolecules [C36]n(n⩾1) is discussed depending on the way in which the monomers are bound in them.
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Translated from Pis’ma v Zhurnal Éksperimental’no\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) i Teoretichesko\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) Fiziki, Vol. 73, No. 9, 2001, pp. 556–560.
Original Russian Text Copyright © 2001 by Gal’pern, Sabirov, Stankevich, Chistyakov, Chernozatonski\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \).
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Gal’pern, E.G., Sabirov, A.R., Stankevich, I.V. et al. A new crystalline form of carbon based on the C36 fullerene: Simulating its crystal and electronic structure. Jetp Lett. 73, 491–494 (2001). https://doi.org/10.1134/1.1385665
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DOI: https://doi.org/10.1134/1.1385665