Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
Abstract
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 (Ef) 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.
- Authors:
-
- 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)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1474488
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Parmar, Narendra S., Boatner, Lynn A., Lynn, Kelvin G., and Choi, Ji-Won. Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region. United States: N. p., 2018.
Web. doi:10.1038/s41598-018-31771-1.
Parmar, Narendra S., Boatner, Lynn A., Lynn, Kelvin G., & Choi, Ji-Won. Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region. United States. https://doi.org/10.1038/s41598-018-31771-1
Parmar, Narendra S., Boatner, Lynn A., Lynn, Kelvin G., and Choi, Ji-Won. Fri .
"Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region". United States. https://doi.org/10.1038/s41598-018-31771-1. https://www.osti.gov/servlets/purl/1474488.
@article{osti_1474488,
title = {Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region},
author = {Parmar, Narendra S. and Boatner, Lynn A. and Lynn, Kelvin G. and Choi, Ji-Won},
abstractNote = {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 (Ef) 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.},
doi = {10.1038/s41598-018-31771-1},
journal = {Scientific Reports},
number = 1,
volume = 8,
place = {United States},
year = {Fri Sep 07 00:00:00 EDT 2018},
month = {Fri Sep 07 00:00:00 EDT 2018}
}
Web of Science
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