Direct Insight into Grain Boundary Reconstruction in Polycrystalline Cu(In, Ga)Se2 with Atomic Resolution
Direct Insight into Grain Boundary Reconstruction in Polycrystalline Cu(In, Ga)Se2 with Atomic Resolution
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DOI：
10.1103/physrevlett.108.075502
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发表时间：
2012-02-15
影响因子：
8.6
通讯作者：
Unold, Thomas
中科院分区：
文献类型：
--
作者：
Abou-Ras, Daniel;Schaffer, Bernhard;Unold, Thomas
本文介绍了高分辨扫描透射电子显微镜和电子能量损失谱对Cu（In，Ga）Se-2薄膜中孪晶界和非孪晶界的研究结果。结果表明，不同对称性的晶界原子重构是不同的。我们能够确认由Rewson和Zunger [Phys. Rev. Lett. 91，266401（2003）]，示出了在最接近TB的两个原子平面中的Cu耗尽和In富集。相反，检测到的阳离子硒终止TB的Cu耗尽没有在富集。在nontwin GB，总是一个很强的Cu和In信号的相关性检测表明，在一个非常有限的区域内小于1 nm的In-Cu或Cu-In反位的形成是这些GB的重建中的一个必不可少的元素。
This work presents results from high-resolution scanning transmission electron microscopy and electron energy-loss spectroscopy on twin boundaries (TBs) and nontwin grain boundaries (GBs) in Cu(In, Ga)Se-2 thin films. It is shown that the atomic reconstruction is different for different symmetries of the grain boundaries. We are able to confirm the model proposed by Persson and Zunger [Phys. Rev. Lett. 91, 266401 (2003)] for Se-Se-terminated Sigma 3 {112} TBs, showing Cu depletion and In enrichment in the two atomic planes closest to the TB. On the contrary, Cu depletion without In enrichment is detected for a cation-Se-terminated TB. At nontwin GBs, always a strong anticorrelation of Cu and In signals is detected suggesting that the formation of In-Cu or Cu-In antisites within a very confined region of smaller than 1 nm is an essential element in the reconstruction of these GBs.