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- W2286831362 abstract "From state-of-the-art density-functional calculations using hybrid functionals we show that, persistent $n$-type conductivity in ZnO is due to defect complexes formed between H with intrinsic and extrinsic defects. H exhibits cationic, anionic, and electrically-inactive character on interacting with defects in ZnO. The electrically-inactive molecular hydrogen can contribute to $n$-type conductivity in ZnO by activating deep donor levels into shallow levels. By calculating local vibrational mode frequencies, we have identified origins of many H-related Raman and infra-red frequencies and thus confirmed the amphoteric behavior of H." @default.
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- W2286831362 date "2013-09-20" @default.
- W2286831362 modified "2023-09-24" @default.
- W2286831362 title "Understanding H-defect complexes in ZnO" @default.
- W2286831362 doi "https://doi.org/10.48550/arxiv.1309.5217" @default.
- W2286831362 hasPublicationYear "2013" @default.
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