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First-principles density-functional theory is employed to investigate the role of hydrogen impurities in In₂O₃. We find that both interstitial hydrogen (Hᵢ) and substitutional hydrogen (HO) act as shallow donors. Our results support recent experiments by Koida et al. [Jpn. J. Appl. Phys. 46, L685 (2007)], which found hydrogen-doped In₂O₃ to be a good candidate for transparent conducting films.
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Limpijumnong et al. (2009) studied this question.
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