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

• 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-Zn(-) H+, with the H+ ion making a short O-H bond with only one nearest O neighbor of V-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.

Subject headings

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Keyword

ZnO

hydrogen

vacancies

hyperfine interaction

electron paramagnetic resonance.

Publication and Content Type

ref (subject category)

kon (subject category)