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  • 标题:Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
  • 本地全文:下载
  • 作者:Narendra S. Parmar ; Lynn A. Boatner ; Kelvin G. Lynn
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2018
  • 卷号:8
  • 期号:1
  • 页码:13446
  • DOI:10.1038/s41598-018-31771-1
  • 语种:English
  • 出版社:Springer Nature
  • 摘要: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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