Premium
Structural model of semi‐metallic carbon nanotubes
Author(s) -
Dmitrović Saša,
Popović Zoran P.,
Damnjanović Milan,
Milošević Ivanka
Publication year - 2013
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201300086
Subject(s) - carbon nanotube , materials science , tight binding , metal , fermi level , electronic band structure , electronic structure , carbon fibers , electronic band , symmetry (geometry) , condensed matter physics , density of states , density functional theory , chemical physics , nanotechnology , computational chemistry , chemistry , composite material , physics , geometry , composite number , mathematics , quantum mechanics , metallurgy , electron
Electronic band structure and electronic density of states (DOS) of single‐walled helically coiled carbon nanotubes (HCCNTs) are numerically calculated by symmetry implemented density functional tight binding method. It is found that unlike straight single‐walled carbon nanotubes, single‐walled HCCNTs can be semi‐metallic, having high DOS at Fermi level. We show that this is a consequence of the local structure of HCCNTs, i.e., that by changing positions of pentagons and heptagons within a monomer, transitions between metallic, semi‐metallic, quasi‐metallic, and semiconducting structures can be made.