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Hydrogen at zinc vacancy of ZnO: An EPR and ESEEM study

Journal Article · · AIP Conference Proceedings
DOI:https://doi.org/10.1063/1.4865666· OSTI ID:22263711
; ;  [1];  [2];  [3]
  1. Department Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden)
  2. Graduate School of Library, Information and Media Studies, University of Tsukuba, Tsukuba, Ibaraki 305-8550 (Japan)
  3. Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan)
An electron paramagnetic resonance (EPR) spectrum, labeled S1, with small-splitting doublet accompanied by weak satellites is observed in ZnO irradiated with 2 MeV electrons. The obtained structure is shown to be the hyperfine structure due to the dipolar interaction between an unpaired electron spin and a nuclear spin of hydrogen (H). The observation of the nuclear Zeeman frequency of H in electron spin echo envelope modulation experiments further confirmed the presence of a hydrogen atom in S1. From the observed spin-Hamiltonian parameters, S1 is identified to be the partly H-passivated Zn vacancy, V{sub Zn}{sup −}H{sup +}, with the H{sup +} ion making a short O-H bond with only one nearest O neighbor of V{sub Zn} in the basal plane, being off the substitutional site, while the unpaired electron spin, which gives rise to the observed EPR signal, is localized on the p orbital of another O neighbor also in the basal plane.
OSTI ID:
22263711
Journal Information:
AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1583; ISSN APCPCS; ISSN 0094-243X
Country of Publication:
United States
Language:
English

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