Optoelectronic properties of rutile (TiO2)

We present here a study of the electronic and optical properties of rutile (TiO₂). An investigation into the energy, pressure and temperature dependence of n_eff and ε_{∞ eff} is presented. Using the calculated values of n_eff and ε_{∞ effs}, we evaluate the Penn gap. The Penn gap thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from band structure. In addition, we also show that essentially the Varshni formula explains the temperature dependence of the energy gap for rutile fairly well.