New transparent conducting oxide based on doped SnO2 for solar cells

Abstract

The full-potential linearized augmented plane wave method (FP-LAPW) based on the density functional theory (DFT) and Boltzmann's Transport theory, are employed to investigate theoretically the electronic structure, optical and electrical properties of Sc, Ti and V doped rutile SnO2. The FP-LAPW based on the new potential approximation known as the Tran-Blaha modified Becke-Johnson exchange potential approximation (mBJ). The calculated band structure and density of states (DOS) exhibit a band gap of pure SnO2 (3.3 eV) closer to the experimental one. As well, our results indicate that the average transmittance in the 400 to 1000 nm wavelength region was 90%. The high transmittance and electrical conductivity indicate that doped SnO2 system is a potential as material for solar energy applications.