First-principles study on the electronic and optical properties of F- and Nb-doped anatase TiO2

Transparent conducting oxide films of heavily Nb-doped titania by reactive co-sputtering

“…It has recently been reported that doped anatase TiO 2 film is an attractive candidate for TCOs. The dopants in TiO 2 -based TCOs include Nb [8][9][10], Ta [11], and W [12]. Nb-doped TiO 2 (denoted as Ti 1−x Nb x O 2 or TNO) films reveal as excellent transparent conducting behaviors as ITO [8].…”

Ab initio calculations for the electronic and optical properties of Y‐doped anatase TiO2

“…The aim of scissor approximation is to shift the unoccupied conduction band states with respect to occupied valence band states and the 1.08 eV value for scissor operator is selected in order to adjust the theoretical band gap with the experimental band gap of anatase TiO 2 . For any material, the imaginary part of the dielectric function $\varepsilon _{2} (\omega )$ is the pandect of the optical properties 32, 33, therefore we have plotted the imaginary part of the dielectric function for pure TiO 2 and different doped models, as shown in Fig. 4.…”

Oxygen vacancy and doping atom effect on electronic structure and optical properties of Cd2SnO4

“…The real part of dielectric function 3 1 (u) can be evaluated from imaginary part 3 2 (u) through Kramer-Kronig relationship, where 3 2 (u) can be treated as detailing the real transitions between occupied and unoccupied electronic states for any materials. [45][46][47][48] All other optical constants, such as the absorption coefficient, refractive index and reectivity can be derived from 3 1 (u) and 3 2 (u).…”