Journal
SCIENTIFIC REPORTS
Volume 4, Issue -, Pages -Publisher
NATURE PORTFOLIO
DOI: 10.1038/srep04124
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Funding
- BRL program through the National Research Foundation (NRF)
- Ministry of Education, Science, and Technology (MEST) [2012-0000345]
- Nano R&D program through NRF [2012-0006199]
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Substitutional hydrogen at oxygen site (H-O) is well-known to be a robust source of n-type conductivity in ZnO, but a puzzling aspect is that the doping limit by hydrogen is only about 10(18) cm(-3), even if solubility limit is much higher. Another puzzling aspect of ZnO is persistent photoconductivity, which prevents the wide applications of the ZnO-based thin film transistor. Up to now, there is no satisfactory theory about two puzzles. We report the bistability of H-O in ZnO through first-principles electronic structure calculations. We find that as Fermi level is close to conduction bands, the H-O can undergo a large lattice relaxation, through which a deep level can be induced, capturing electrons and the deep state can be transformed into shallow donor state by a photon absorption. We suggest that the bistability can give explanations to two puzzling aspects.
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