Open AccessThe electronic structure of polyhex carbon tori
Author(s) -
A. Ceulemans,
Liviu F. Chibotaru,
S. A. Bovin,
P. W. Fowler
Publication year - 2000
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.480972
Subject(s) - torus , bent molecular geometry , divisibility rule , chirality (physics) , atomic orbital , electronic structure , tight binding , physics , radius , carbon nanotube , geometry , materials science , mathematics , condensed matter physics , nanotechnology , pure mathematics , quantum mechanics , computer science , chiral anomaly , electron , nambu–jona lasinio model , fermion , computer security , composite material
The pi-orbital electronic structure of polyhex carbon tori constructed from bent individual single-wall nanotubes is investigated within the tight-binding approach. Analytical solutions for tori from nanotubes of arbitrary radius, length, chirality, and twisting angle are derived using simple geometrical and band-structure arguments. Vanishing of the gap between highest occupied and lowest unoccupied molecular orbitals for a torus imposes divisibility by 3 on the indices of chiral and twisting vectors, which translates into one graph-theoretical condition: a metallic polyhex torus is constructible as a leapfrog transformation of a smaller polyhex torus. (C) 2000 American Institute of Physics. [S0021-9606(00)70408-9].status: publishe
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