Structural, Electronic and Optical Properties of Doped Titanium Nanowire

Florina Regius, Gnaneshwar.P.V, Arjun Senthil, Moon Paul, Varun Nair

Abstract: Electronic optical and structural properties of Titanium Nanowire (TiNW) when doped with Al and P atoms are obtained from simulation studies have been reviewed. The band gap, density of states, optical spectrum and Structural property of Titanium Nanowire has been compared when this nanowire is doped with phosphorus and aluminium atoms. We observed that decrease in band gap increases the metallic property of silicon. Total energy is maximum then the structure is least stable. So we can say that total energy is inversely proportional to stability. In density of states, we clearly see the decline in DOS/eV with the increase of doping Al and P atoms. In this paper, we have discussed all the electronic and structural properties.

Keywords: Band structure, Band gap, Density of States, TiNW