First Principeles Initio Study of the Electronic and Optical Properties of Bulk TiC and Its Narrow Nanowires by Density Functional Theory
In this article, the electronic and optical properties of bulk TiC and its narrow nanowires were investigated Rolling Tray using Quantum-Espresso/PWSCF computational package in the framework of density functional theory.According to the results, this compound showed a metallic behavior in the bulk structure, but the small diameters of the nanowires