Electronic and Optical Properties of TiO2

The electronic and optical properties of the rutile titanium dioxide compound have been investigated experimentally by absorption measurements and theoretically by a full-potential linearized augmented plane wave (FPLAPW) method within the local density approximation (LDA). The thin films for the absorption measurements were prepared by DC magnetron sputtering. The theoretical results for the absorption compared qualitatively well with the experimental findings. The dielectric functions and band-structure have also been calculated, and the LDA band-gap energy is corrected by an on-site Coulomb potential.