Bistability of Hydrogen in ZnO: Origin of Doping Limit and Persistent Photoconductivity

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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.
Publisher
NATURE PUBLISHING GROUP
Issue Date
2014
Language
English
Article Type
Article
Keywords

AUGMENTED-WAVE METHOD; ZINC-OXIDE; SEMICONDUCTORS; PLASMA

Citation

SCIENTIFIC REPORTS, v.4

ISSN
2045-2322
DOI
10.1038/srep04124
URI
http://hdl.handle.net/10203/228673
Appears in Collection
NT-Journal Papers(저널논문)
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