Eur. Phys. J. B 81, 231-236 (2011)
https://doi.org/10.1140/epjb/e2011-20191-1

Electronic and elastic properties of expanded radialenes carbon nanotubes

¹ Instituto Federal Sudeste de MG, CEP 36080-001 Juiz de Fora, MG, Brazil
² Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora, MG, Brazil

Corresponding author: ^a elena.konst@ifsudestemg.edu.br

Received: 12 March 2011
Revised: 8 April 2011
Published online: 11 May 2011

Abstract

The series of expanded radialenes of molecular formulae CH_n and CH_n are obtained by inserting acetylene or diacetylene groups between each pair of methylene units of radialenes C_nH_n. This paper reports on the new theoretical investigation of electronic and elastic properties of some carbon nanotubes based on expanded radialenes with different diameters and with the armchair and zigzag edges Using the ABINIT software package, which is based on the density functional theory (DFT), we found that all studied carbon nanotubes based on expanded radialenes possess metallic behavior. Also, the calculations show that the elastic properties of the nanotubes depend on the form of the rolling up (armchair (m,m) or zigzag (m,0)). The Young's modulus is slightly smaller for the (m,0) nanotubes and a bit larger for (m,m) nanotubes.