Electronic properties of the metallic zigzag single‐walled carbon nanotube ropes

Abstract

Abstract Using Slater–Koster tight‐binding calculations, we found that, due to the coexistence of the π–σ electron hybridization and the inter‐tube interactions, the electronic properties of the rope formed by small‐radius metallic zigzag single‐walled carbon nanotubes (SWNTs) have some unique characters: for the rope formed by (9,0) SWNTs, its electronic properties near the Fermi level are mainly affected by the π–σ electron hybridization; and for the rope formed by (12,0) SWNTs, both factors affect the electronic properties significantly. With increasing SWNT radius, the effect of the π–σ electron hybridization decreases quickly. Finally, boundary effects of the finite sized rope have also been investigated, which reduce the pseudogap generally.