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Title: 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 >10 20 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 cm 2/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:
ORCiD logo [1];  [2]; ORCiD logo [3];  [4]
  1. Korea Inst. of Science and Technology, Seoul (Korea, Republic of)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Washington State Univ., Pullman, WA (United States)
  4. 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 Lab. (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. doi: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. doi: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 = {2018},
month = {9}
}

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