First-principles calculations of electronic and optical properties of F, C-codoped cubic HfO2

A first-principle study of electronic, thermoelectric, and optical properties of sulfur doped c-HfO2

“…It has been shown that doping of S in HfO 2 thin film results in more S concentration which leads to improving its durability and response behaviour [40][41][42]. Zhang et al have reported that the effect of co-doping of C and F can improve the optical properties of c-HfO 2 [43]. Various experimental and theoretical studies of S-doping are existing in literature which demonstrated the enhancement in stability and reduction in band gap of TiO 2 and ZrO 2 [44][45][46][47][48].…”