Electronic properties of carbon nanotubes under torsion

Abstract

A computationally-effective approach for calculating the electromechanical behavior of SWNTs and MWNTs of the dimensions used in nano-electronic devices has been developed. It is a mixed finite element-tight-binding code carefully designed to realize significant time saving in calculating deformation-induced changes in electrical transport properties of the nanotubes. The effect of the MWNT diameter and chirality on the conductance after mechanical deformation was investigated. In case of torsional deformation results revealed the conductance of MWNTs to depend strongly on the diameter, since bigger MWNTs reach much earlier the buckling load under torsion their electrical conductivity changes more easily than in small diameter ones. For the same outer diameter, zig-zag MWNTs are more sensible to twisting with respect to armchair MWNTs since the hexagonal cells are oriented in such a way that they oppose less resistance to the buckling deformations due to torsion. Thus small diameter armchair MWNTs should work better if used as conductor, while big diameter zig-zag MWNTs are more indicated for building sensors.