Quasiparticle optoelectronic properties of pure and doped indium oxide

Optoelectronic properties of pure In2O3 and doped with Cr and Zn (as n and p type) have been investigated using density functional theory (DFT). The calculations are performed by using the quasiparticle calculations (GWA) and the full potential linearized augmented plane wave (FL-LAPW) within the generalized gradient approximation (GGA). The calculated band structures for pure and doped In2O3 with n and p type impurities from these theoretical methods are different. The obtained results by the quasiparticle calculations are close to the experimental results. In comparison with various DFT methods, the calculated optical spectra by GWA are also in good agreement with the experiment.

► Optoelectronic properties of pure and doped In2O3 have been investigated.
► The quasiparticle calculations and the generalized gradient approximation are used.
► The calculated band structures for n and p type impurities are different.
► The quasiparticle calculations results are good agreement with experiment.