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Authors : Biró,László,P.;Márk,Géza,I.;Lambin,Philippe
Title : Regularly coiled carbon nanotubes
JournalName : IEEE Transactions on Nanotechnology
PubDateYear : 2003
PubDateOther : December
Volume : 2
Issue : 4
StartPage : 362
EndPage : 367
Keywords : TOP_YandCoil;W_Experiment;W_Theory;W_Coil;W_Nanotube;W_Haeckelite;W_Composites;W_TightBinding
Notes :
Abstract : Regularly coiled carbon nanotubes, their structure, and formation mechanism are puzzling questions. The first models were based on the very regular incorporation of a small fraction (of the order of 10%) of nonhexagonal (n-Hx) rings: (pentagons and heptagons) in a perfect hexagonal (Hx) lattice. It is difficult to un-derstand by which mechanism takes place such a regular incorporation of isolated n-Hx rings. In this paper, a new family of Haeckelite nanotubes is generated in a systematic way by rolling up a two-dimensional three-fold coordinated carbon network composed of pentagon-heptagon pairs and hexagons in proportion 2 : 3. In this model, the n-Hx rings are treated like regular building blocks of the structure. Cohesion energy calculation shows that the stability of the generated three-dimensional Haeckelite structures falls between that of straight carbon nanotubes and that of 60 . Electronic density of states of the Haeckelite computed with a tight-binding Hamiltonian that includes the orbitals only shows that the structures are semiconductor. The relation of the structures with experimental observations is discussed.
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