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

• Published in: Physica Status Solidi (b) Vol. 239; no. 1; pp. 152 - 157
• Main Authors: Chen, Jiangwei, Wan, Xiangang, Dong, Jinming
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Berlin WILEY-VCH Verlag 01.09.2003; WILEY‐VCH Verlag; Wiley
• Subjects: 71.20.Tx; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Electron density of states and band structure of crystalline solids; Electron states; Exact sciences and technology; Fullerenes and related materials; intercalation compounds; Physics; Plane-wave methods (including augmented plane-wave method); Theories and models of many electron systems; Energy gap; Electronic structure; Singlewalled nanotube; Fermi level; Tight binding approximation; Electron interaction; Theoretical study; Carbon nanotubes; Boundary conditions; Coexistence; Hybridization; Electronic density of states
• ISSN: 0370-1972; 1521-3951
• DOI: 10.1002/pssb.200301631

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.