Self-Energy and Excitonic Effects in the Electronic and Optical Properties of TiO2 Crystalline Phases

Letizia Chiodo, Juan Maria Garcia-Lastra, Amilcare Iacomino +4

We present a unified ab-initio study of electronic and optical properties of TiO2 rutile and anatase phases, with a combination of Density Functional Theory and Many Body Perturbat…