Atomic structure of [0001]-tilt grain boundaries in ZnO: A high-resolution TEM study of fiber-textured thin films
Atomic structure of [0001]-tilt grain boundaries in ZnO: A high-resolution TEM study of fiber-textured thin films
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DOI：
10.1103/physrevb.70.125415
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发表时间：
2004-09
影响因子：
3.7
通讯作者：
F. Oba;H. Ohta;Y. Sato;H. Hosono;Takahisa Yamamoto;Y. Ikuhara
中科院分区：
文献类型：
--
作者：
F. Oba;H. Ohta;Y. Sato;H. Hosono;Takahisa Yamamoto;Y. Ikuhara
采用高分辨透射电子显微镜（HRTEM）和原子计算研究了ZnO中[0001]倾斜晶界的原子结构。采用脉冲激光沉积法在石英玻璃衬底上生长了[0001]纤维织构ZnO薄膜，并进行了高分辨透射电子显微镜观察。在薄膜中观察到的[0001]倾斜晶界可以分为三种类型：由不规则位错阵列组成的小角度晶界、具有${10\overline{1}0}$小面结构的晶界和由对称周期单元表示的近低$\ensuremath{\Sigma}$晶界。的原子结构的边界进行了讨论，重点是一个$\ensuremath{\Sigma}=7$结合原子计算和HRTEM图像模拟的边界。$\ensuremath{\Sigma}=7$边界由多个结构单元组成，这些结构单元与刃型位错的核心结构非常相似。位错状结构单元的直线或锯齿形排列构成了对称和${10\overline{1}0}$小面结构的其他高角边界。ZnO中的[0001]-倾斜晶界通常被描述为位错单元的阵列。
The atomic structure of [0001]-tilt grain boundaries in ZnO was investigated using high-resolution transmission electron microscopy (HRTEM) and atomistic calculations. HRTEM observation was conducted for [0001] fiber-textured ZnO thin films grown on quartz-glass substrates by the pulsed-laser deposition. The [0001]-tilt boundaries observed in the films can be classified into three types: low-angle boundaries composed of irregular dislocation arrays, boundaries with ${10\overline{1}0}$ facet structures, and near-low $\ensuremath{\Sigma}$ boundaries represented by symmetric periodicity units. The atomic structure of the boundaries is discussed with a focus on a $\ensuremath{\Sigma}=7$ boundary in conjunction with atomistic calculations and HRTEM image simulations. The $\ensuremath{\Sigma}=7$ boundary consists of multiple structural units that are very similar to the core structures of edge dislocations. Straight or zigzag arrangements of the dislocationlike structural units constitute other high-angle boundaries with symmetric and ${10\overline{1}0}$ facet structures as well. It is suggested that [0001]-tilt boundaries in ZnO are generally described as an array of the dislocationlike units.