Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region

Parmar, Narendra S.; Boatner, Lynn A.; Lynn, Kelvin G.; Choi, Ji-Won

doi:10.1038/s41598-018-31771-1

Title: Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region

Journal Article · Fri Sep 07 00:00:00 EDT 2018 · Scientific Reports

DOI:https://doi.org/10.1038/s41598-018-31771-1· OSTI ID:1474488

^[1]; Boatner, Lynn A. ^[2];

^[3]; Choi, Ji-Won ^[4]

Korea Inst. of Science and Technology, Seoul (Korea, Republic of)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Washington State Univ., Pullman, WA (United States)
Korea Inst. of Science and Technology, Seoul (Korea, Republic of); Korea Univ. of Science and Technology, Daejeon (Korea, Republic of)

By using positron annihilation spectroscopy methods, we have experimentally demonstrated the creation of isolated zinc vacancy concentrations >10²⁰ cm^-3 in chemical vapor transport (CVT)-grown ZnO bulk single crystals. X-ray diffraction ω-rocking curve (XRC) shows the good quality of ZnO single crystal with (110) orientation. The depth analysis of Auger electron spectroscopy indicates the atomic concentrations of Zn and O are almost stoichiometric and constant throughout the measurement. Boltzmann statistics are applied to calculate the zinc vacancy formation energies (E^f) of ~1.3-1.52 eV in the sub-surface micron region. We have also applied Fick’s 2nd law to calculate the zinc diffusion coefficient to be ~1.07 × 10^-14 cm²/s at 1100 °C. The zinc vacancies began annealing out at 300 °C and, by heating in the air, were completely annealed out at 700 °C.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1474488

Journal Information:: Scientific Reports, Vol. 8, Issue 1; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 7 works

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