First-principles density-functional theory is employed to investigate the role of hydrogen impurities in ${\text{In}}_2{\text{O}}_3$. We find that both interstitial hydrogen $\left({\text{H}}_i\right)$ and substitutional hydrogen $\left({\text{H}}_{\text{O}}\right)$ act as shallow donors. Our results support recent experiments by Koida et al. [Jpn. J. Appl. Phys. 46, L685 (2007)], which found hydrogen-doped ${\text{In}}_2{\text{O}}_3$ to be a good candidate for transparent conducting films.

• Received 14 August 2009

DOI:https://doi.org/10.1103/PhysRevB.80.193202