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...

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Autores principales:	Narendra S. Parmar, Lynn A. Boatner, Kelvin G. Lynn, Ji-Won Choi
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/3d641a657d4e40e39aa106a343b96f0a
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spelling	oai:doaj.org-article:3d641a657d4e40e39aa106a343b96f0a2021-12-02T15:07:45ZZn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region10.1038/s41598-018-31771-12045-2322https://doaj.org/article/3d641a657d4e40e39aa106a343b96f0a2018-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-31771-1https://doaj.org/toc/2045-2322Abstract 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.Narendra S. ParmarLynn A. BoatnerKelvin G. LynnJi-Won ChoiNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-8 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Narendra S. Parmar Lynn A. Boatner Kelvin G. Lynn Ji-Won Choi Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
description	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 (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.
format	article
author	Narendra S. Parmar Lynn A. Boatner Kelvin G. Lynn Ji-Won Choi
author_facet	Narendra S. Parmar Lynn A. Boatner Kelvin G. Lynn Ji-Won Choi
author_sort	Narendra S. Parmar
title	Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
title_short	Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
title_full	Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
title_fullStr	Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
title_full_unstemmed	Zn Vacancy Formation Energy and Diffusion Coefficient of CVT ZnO Crystals in the Sub-Surface Micron Region
title_sort	zn vacancy formation energy and diffusion coefficient of cvt zno crystals in the sub-surface micron region
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/3d641a657d4e40e39aa106a343b96f0a
work_keys_str_mv	AT narendrasparmar znvacancyformationenergyanddiffusioncoefficientofcvtznocrystalsinthesubsurfacemicronregion AT lynnaboatner znvacancyformationenergyanddiffusioncoefficientofcvtznocrystalsinthesubsurfacemicronregion AT kelvinglynn znvacancyformationenergyanddiffusioncoefficientofcvtznocrystalsinthesubsurfacemicronregion AT jiwonchoi znvacancyformationenergyanddiffusioncoefficientofcvtznocrystalsinthesubsurfacemicronregion
_version_	1718388378095845376

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

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