New metallic allotropes of planar and tubular carbon
We propose a new family of layered sp(2)-like carbon crystals, incorporating five-, six-, and seven-membered rings in 2D Bravais lattices. These periodic sheets can be rolled so as to generate nanotubes of different diameter and chirality. We demonstrate that these sheets and tubes are metastable and more favorable than C60, and it is also shown that their mechanical properties are similar to those of graphene. Density of states calculations of all structures revealed an intrinsic metallic behavior, independent of orientation, tube diameter, and chirality.
Terrones
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School of Chemistry, Physics and Environmental Science, University of Sussex, Brighton, BN1 9 QJ, United Kingdom and Instituto de Fisica, UNAM, Laboratorio Juriquilla, Apartado Postal 1-1010, 76000 Queretaro, Mexico.
Terrones
M
Hernandez
E
Grobert
N
Charlier
JC
Ajayan
PM