We present here a study of the electronic and optical properties of rutile (TiO2). An investigation into the energy, pressure and temperature dependence of neff and ε∞ eff is presented. Using the calculated values of neff 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.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics