A comprehensive study of titanium-doped tin oxide rutile for structural and optical properties

In present research work, the theoretical study of structural, optical and electronic structures of the Rutiles Sn1−xTixO2(x=0.25,0.5,0.75) in monoclinic phase has been performed. The structural study reveals the phase change from tetragonal to base centered monoclinic at 25% and 75% of Ti-concentration in SnO2. While at 50% concentration of Ti in SnO2, the material has primitive monoclinic crystal structure. The optical constants like absorption coefficient (α), reflectivity (R), dielectric constant (ϵ), conductivity (σ), refractive index (n), extinction coefficient (κ) and energy-loss function (L) have been studied comprehensively. It is found that the absorption edge for the material decreases by increasing Ti-concentration in SnO2. The band gap of materials increases with the increase of Ti-concentrations in SnO2.