Identification of native defects around grain boundary in Pr-doped ZnO bicrystal using electron energy loss spectroscopy and first-principles calculations

Sato, Yukio; Mizoguchi, Teruyasu; Oba, Fumiyasu; Yodogawa, Masatada; Yamamoto, Takahisa; Ikuhara, Yuichi
June 2004
Applied Physics Letters;6/28/2004, Vol. 84 Issue 26, p5311
Academic Journal
Native defects and Pr dopant around grain boundaries in Pr-doped and undoped ZnO bicrystals were investigated by electron energy loss spectroscopy (EELS) with a focus on the relationship with the current-voltage characteristics. The Pr-doped bicrystal exhibited a nonlinear current-voltage characteristic, whereas the undoped bicrystal shows an ohmic characteristic. In the Pr-doped bicrystal, Pr was found to be present within 8 nm around the grain boundary. EELS investigation of native defects combined with first-principles calculations indicated the presence of zinc vacancies in the vicinity of the Pr-doped grain boundary. The formation of zinc vacancies is considered to be the origin of the nonlinear current-voltage characteristic.


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