Normal modes of vibration of carbon nanotubes doped with nitrogen: towards conducting properties

Abstract

The conducting properties of carbon nanotubes can be changed by nitrogen doping. There exists an enormous interest in modifying the conducting properties of organic and inorganic single and multiwall nanotubes, through doping, since their modified transport properties can be exploited in electronic nano-devices such as diodes, transistors, etc. In this work we study the normal modes of vibration of the armchair (4,4) nanotube: pristine and with nitrogen doping. We used the Density Functional Theory approach including periodic boundary conditions to obtain the ab initio Hessian tensor.