n-type doping of oxides by hydrogen

@article{Kl2002ntypeDO,
  title={n-type doping of oxides by hydrogen},
  author={Çetin Kılıç and Alex Zunger},
  journal={Applied Physics Letters},
  year={2002},
  volume={81},
  pages={73-75}
}
First-principles total-energy calculations suggest that interstitial hydrogen impurity forms a shallow donor in SnO2, CdO, and ZnO, but a deep donor in MgO. We generalize this result to other oxides by recognizing that there exist a “hydrogen pinning level” at about 3.0±0.4 eV below vacuum. Materials such as Ag2O, HgO, CuO, PbO, PtO, IrO2, RuO2, PbO2, TiO2, WO3, Bi2O3, Cr2O3, Fe2O3, Sb2O3, Nb2O5, Ta2O5, FeTiO3, and PbTiO3, whose conduction band minimum (CBM) lie below this level (i.e., electron… Expand

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