Theoretical and experimental studies of La- substituted In2O3 nano- layer via the modified Becke-Johnson (mBJ) potential

Optoelectronic properties of nanolayer of pure indium oxide (In2O3) and substituted with La are investigated by the both density functional theory (DFT) method and the experimental spray pyrolysis technique. The reported experimental results are X-ray diffraction (XRD) and absorption coefficient spectra and the theoretical results are band structure, density of states (DOS), dielectric functions, refractive index and absorption coefficient. Obtained results show that, substituting In atom by La decreases the value of the band gap mainly due to the number of states originating from La- d states in the bottom of the conduction band. It is found that the refractive index of indium oxide nanolayers increases with the substitution of In with La. The experimentally obtained results confirm the calculated theoretical results.