| 研究実績の概要 |
[0001] symmetric tilt GB of praseodymium doped ZnO is studied by bicrystal in order to find orientation-dependency of the boundary structure.
Investigation has been carried out by transmission electron microscopy and first principles calculation.
GB structures are described by periodic arrangements of structural units. Structure transformation has been found near θ is 30 degree. Each type of SU has specific number of Pr at certain Zn substitutional sites, which have relatively large site volume. Coexistence of SUs of neighboring CSL GBs was found in the intermediately oriented boundaries with a certain ratio. Finally, Pr-doped ZnO [0001] symmetric tilt GBs showed a characteristic behavior as a function of orientation angle, θ.
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