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Bistability of hydrogen in ZnO: origin of doping limit and persistent photoconductivity.

ABSTRACT: Substitutional hydrogen at oxygen site (HO) 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 HO in ZnO through first-principles electronic structure calculations. We find that as Fermi level is close to conduction bands, the HO 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.

SUBMITTER: Nahm HH

PROVIDER: S-EPMC3927214 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature

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Bistability of hydrogen in ZnO: origin of doping limit and persistent photoconductivity.

Nahm Ho-Hyun HH Park C H CH Kim Yong-Sung YS

Scientific reports 20140218

Substitutional hydrogen at oxygen site (HO) 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 HO in ZnO through first-princ ...[more]

PMID: 24535157

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