Identification of native defects around grain boundary in Pr-doped ZnO bicrystal using electron energy loss spectroscopy and first-principles calculations
Identification of native defects around grain boundary in Pr-doped ZnO bicrystal using electron energy loss spectroscopy and first-principles calculations
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DOI：
10.1063/1.1766078
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发表时间：
2004-06
影响因子：
4
通讯作者：
Y. Sato;T. Mizoguchi;F. Oba;M. Yodogawa;Takahisa Yamamoto;Y. Ikuhara
中科院分区：
文献类型：
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作者：
Y. Sato;T. Mizoguchi;F. Oba;M. Yodogawa;Takahisa Yamamoto;Y. Ikuhara
利用电子能量损失谱（EELS）研究了Pr掺杂和未掺杂ZnO双晶中晶界附近的本征缺陷和Pr掺杂与电流-电压特性的关系。Pr掺杂的双晶体呈现非线性的电流-电压特性，而未掺杂的双晶体呈现欧姆特性。在Pr掺杂的双晶中，Pr存在于晶界附近的8 nm范围内。EELS调查的原生缺陷结合第一性原理计算表明，在附近的Pr掺杂晶界的锌空位的存在。锌空位的形成被认为是非线性电流-电压特性的起源。
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 8nm 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.