Hydrogen doping in indium oxide: An ab initio study

First-principles density-functional theory is employed to investigate the role of hydrogen impurities in In2O3. We find that both interstitial hydrogen (H-i) and substitutional hydrogen (H-O) act as shallow donors. Our results support recent experiments by Koida [Jpn. J. Appl. Phys. 46, L685 (2007)], which found hydrogen-doped In2O3 to be a good candidate for transparent conducting films.