Chirality effects in atomic vacancy-limited transport in metallic carbon nanotubes.
We use first principles density functional theory combined with nonequilibrium Green's function technique to investigate the electronic and transport properties of metallic armchair and zigzag carbon nanotubes (CNTs) with different kinds of multivacancy defects. While the existence of a small band gap in pristine zigzag (12,0) CNTs lowers its conductance compared to pristine armchair (7,7) CNTs, transport properties in the presence of multi (hexa)-vacancy are superior in the former nanostructure, that is more sensitive to defect size and topology than the latter. In addition, in the zigzag structures hexavacancy nanotubes have higher conductance than divancancy nanotubes, which is due to the presence of midgap states that reduce the transmission gap and enhance the conductance.
Zeng
Hui
H
College of Material Science and Engineering, College of Physics and Microelectronic Science, Hunan University, Changsha 410082, China.
Hu
Huifang
H
Leburton
Jean-Pierre
JP