Study of Electronic Structure of Single-Walled TiC Nanotube

Abstract

TiC in its bulk and nanotube structure are studied for various potential application. TiC nanotubes were proposed recently and their stability and morphological differences depending from tubes sizes were discussed. Electronic structure calculation performed using density functional-based tight binding method with the aim to look for the electronic properties of the single-walled nanotube of TiC. The Atomistix ToolKit-DFT (ATK-DFT) is used to study the structural stability, energy bands and the densities of states.