Aligned semiconducting single-walled carbon nanotubes: Semi-analytical solution

摘要

This paper presents a semi-analytical model to study coupling between adjacent semiconducting single-walled carbon nanotubes (s-SWCNT) and its effect on the energy band gap. A potential function is proposed to describe the charge density distribution of s-SWCNT based on the continuum model. The potential function is then used in solving Schrödinger's equation to obtain the ground state probability wave function for one s-SWCNT and aligned bundle of s-SWCNTs. Then, a parametric study of energy band gap is developed by varying the distance between adjacent s-SWCNTs and applying transverse electric field across the bundle axis. The energy band gap of aligned s-SWCNTs is 10% less than one s-SWCNT. When the distance (d) between the adjacent s-SWCNTs is increased, the change of the energy band gap vanishes. By applying transverse electric field, the energy band gap may reduce by as much as 20% and vanishes with the increase of d.