Hydrogen motion in the Cu-H complex in ZnO

Börrnert, Felix; Lavrov, E. V.; Weber, J.

doi:10.1103/physrevb.75.205202

Cited by 29 publications

(13 citation statements)

References 37 publications

(54 reference statements)

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“…Similar behavior was documented for a number of hydrogen-related complexes in ZnO and is normally explained by the difference in the zero-point energies of the O-H and O-D species. 12,17,39 The different annealing temperatures of XH and XD are, however, a new result. To get insight into the nature of XH, an annealing series for a ZnO sample treated in a mixture of H 2 and D 2 was also performed.…”

Section: G Thermal Stability Of Xhmentioning

confidence: 99%

Charge states of a hydrogen defect with a local vibrational mode at3326 cm−1in ZnO

et al. 2010

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An IR absorption study is presented of a hydrogen defect in ZnO that gives rise to a local vibrational mode at 3326 cm −1 ͓M. D. McCluskey et al., Appl. Phys. Lett. 81, 3807 ͑2002͔͒. It is shown that a subband gap illumination results in the appearance of a new IR absorption line at 3358 cm −1 at the expense of the main signal at 3326 cm −1 . Based on the anticorrelation between the two lines as well as on the results of isotope substitution experiments it is concluded that both signals are due to stretch modes of an O-H bond of the same defect in different charge states. The energy of the subband gap light strongly suggest that this defect has a deep rather than shallow level in the band gap of ZnO. Additionally, the results on thermal stability, uniaxial stress response, and temperature dependence of the transition rates between the two charge states of this defect are presented.

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Section: G Thermal Stability Of Xhmentioning

confidence: 99%

Charge states of a hydrogen defect with a local vibrational mode at3326 cm−1in ZnO

et al. 2010

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“…These Cu þ acceptor ions are charge-compensated (i.e., passivated) by an adjacent OH À ion at an oxygen site. 36 The hydrogen can be "driven" from the Cu þ ions by heating a crystal in air to 900 C. This leaves isolated substitutional Cu þ ions that can then be converted to Cu 2þ ions with nearband-edge laser light when the temperature is below approximately 60 K. 8 The resulting substitutional Cu 2þ ions have a characteristic EPR spectrum that is easily monitored at temperatures near 6 K. 1,3,4 This production of Cu 2þ ions by removing the hydrogen at high temperature has been observed by Lavrov et al 9 in near-infrared-absorption experiments on hydrothermally grown ZnO crystals and has been computationally modeled by Hu and Pan. 37 A similar thermally induced dissociation behavior has been reported for nitrogen-hydrogen (N-H) complexes in ZnO crystals.…”

Section: Results From Electron Paramagnetic Resonancementioning

confidence: 97%

Copper doping of ZnO crystals by transmutation of 64Zn to 65Cu: An electron paramagnetic resonance and gamma spectroscopy study

Recker

McClory

Holston

et al. 2014

Journal of Applied Physics

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Transmutation of 64Zn to 65Cu has been observed in a ZnO crystal irradiated with neutrons. The crystal was characterized with electron paramagnetic resonance (EPR) before and after the irradiation and with gamma spectroscopy after the irradiation. Major features in the gamma spectrum of the neutron-irradiated crystal included the primary 1115.5 keV gamma ray from the 65Zn decay and the positron annihilation peak at 511 keV. Their presence confirmed the successful transmutation of 64Zn nuclei to 65Cu. Additional direct evidence for transmutation was obtained from the EPR of Cu2+ ions (where 63Cu and 65Cu hyperfine lines are easily resolved). A spectrum from isolated Cu2+ (3d9) ions acquired after the neutron irradiation showed only hyperfine lines from 65Cu nuclei. The absence of 63Cu lines in this Cu2+ spectrum left no doubt that the observed 65Cu signals were due to transmuted 65Cu nuclei created as a result of the neutron irradiation. Small concentrations of copper, in the form of Cu+-H complexes, were inadvertently present in our as-grown ZnO crystal. These Cu+-H complexes are not affected by the neutron irradiation, but they dissociate when a crystal is heated to 900 °C. This behavior allowed EPR to distinguish between the copper initially in the crystal and the copper subsequently produced by the neutron irradiation. In addition to transmutation, a second major effect of the neutron irradiation was the formation of zinc and oxygen vacancies by displacement. These vacancies were observed with EPR.

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“…The results were linked to hydrogen diffusion, and it was suggested that the activation energy of hydrogen motion in ZnO is around 0.5 eV. 19 These results disagree with the early studies of hydrogen diffusion in ZnO. Mollwo 1 and Thomas and Lander 2 investigated hydrogen diffusion by detecting the change in conductivity of the ZnO samples.…”

Section: Hydrogen Moleculementioning

confidence: 87%

“…3 The different thermal stability of H BC and D BC we explain by different diffusion rates of the two isotope species, which comes from the difference in the zero-point energy of the O-H and O-D bonds. 19,20 In our model, H BC anneals out via diffusion and a subsequent trapping at some other defect. Provided H BC is dominant, the formation of a hydrogen molecule, H 2 , should be the main sink for isolated hydrogen.…”

Section: Bond-centered Hydrogenmentioning

confidence: 99%

Hydrogen in ZnO

Lavrov

2010

Oxide-Based Materials and Devices

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The results of a combined study of Raman scattering, IR absorption, photoluminescence, and photoconductivity on ZnO are presented. Two shallow donors-hydrogen at the bond-centered lattice site, H BC , and hydrogen bound in an oxygen vacancy, H O ,-were identified. Donor H BC has an ionization energy of 53 meV. The recombination of an exciton bound to H BC gives rise to the 3360.1 ± 0.2 meV photoluminescence line. The 1s → 2p donor transition at 330 cm −1 is detected in the Raman scattering and photoconductivity spectra. The stretch mode of the associated O-H bond is detected in IR absorption at 3611 cm −1 . The H O donor in ZnO has an ionization energy of 47 meV. The excitonic recombination at H O leads to the previously labeled I 4 line at 3362.8 meV. Photoconductivity and Raman spectra reveal the 1s → 2p donor transition at 265 cm −1 .It is shown that H BC migrating through the ZnO lattice forms electrically inactive interstitial H 2 . Vibrational modes of H 2 , HD, and D 2 were identified at 4145, 3628, and 2985 cm −1 , respectively. These results suggest that interstitial H 2 is responsible for the "hidden" hydrogen in ZnO.

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Hydrogen motion in the Cu-H complex in ZnO

Cited by 29 publications

References 37 publications

Charge states of a hydrogen defect with a local vibrational mode at3326 cm−1in ZnO

Charge states of a hydrogen defect with a local vibrational mode at3326 cm−1in ZnO

Copper doping of ZnO crystals by transmutation of 64Zn to 65Cu: An electron paramagnetic resonance and gamma spectroscopy study

Hydrogen in ZnO

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