Effect of boundary plane on the atomic structure of [0001] Σ 7 tilt grain boundaries in ZnO
Effect of boundary plane on the atomic structure of [0001] Σ 7 tilt grain boundaries in ZnO
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DOI：
10.1007/s10853-005-2666-4
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发表时间：
2005-06
影响因子：
4.5
通讯作者：
F. Oba;Y. Sato;T. Yamamoto;H. Ohta;H. Hosono;Y. Ikuhara
中科院分区：
文献类型：
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作者：
F. Oba;Y. Sato;T. Yamamoto;H. Ohta;H. Hosono;Y. Ikuhara
通过纤维织构薄膜的高分辨率透射电子显微镜观察和原子计算，研究了ZnO中具有{}‖{}、{}‖{}和{}‖{}界面的[0001]Σ 7倾斜晶界的原子结构。发现这些边界包含三种常见的结构单元，其特征是沿[0001]方向的四重至八重配位通道，与纤锌矿结构中的六重配位通道相反。边界结构单元与Burgers向量为1/3<>的刃位错的多核结构非常相似。通过对应于位错滑移的原子翻转，可以很容易地发生三种构型中的两种之间的转变。根据边界平面相对于伯格斯矢量的方向，类位错单元表现出直线或之字形排列，其周期性对应于Σ 7 错误取向。
The atomic structure of [0001] Σ 7 tilt grain boundaries with {}‖ {}, {}‖ {}, and {}‖ {} boundary planes in ZnO was investigated through high-resolution transmission electron microscopy observation of fiber-textured thin films and atomistic calculations. These boundaries were found to comprise three kinds of common structural units that are characterized by fourfold- to eightfold-coordinated channels along the [0001] direction in contrast to sixfold-coordinated channels in wurtzite structure. The boundary structural units are very similar to the multiple core structures of edge dislocations with Burgers vectors of 1/3 <> . Transformation between two of the three configurations can easily occur through an atom flipping corresponding to dislocation glide. Depending on the orientation of boundary planes with respect to the Burgers vectors, the dislocation-like units exhibit straight or zigzag arrangements with periodicities corresponding to the Σ 7 misorientation.