A microscopic study investigating the structure of SnSe surfaces
A microscopic study investigating the structure of SnSe surfaces
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DOI：
10.1016/j.susc.2016.03.013
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发表时间：
2016-09-01
期刊：
影响因子：
1.9
通讯作者：
Kim, Jungdae
中科院分区：
文献类型：
--
作者：
Kim, Sang-ui;Anh-Tuan Duong;Kim, Jungdae
SnSe 因其优异的热电、光伏和光电特性而具有许多潜在的应用，因此得到了广泛的研究。然而，对 SnSe 微观结构的实验研究在很大程度上仍未得到探索。在此，首次通过自制的低温扫描隧道显微镜（STM）和密度泛函理论（DFT）计算研究了SnSe表面的原子和电子结构。 SnSe 的解理表面由锯齿形共价键合的 Se 和 Sn 原子组成。然而，在填充态和空态探测的 SnSe 表面原子图像中观察到矩形周期性。通过DFT计算分析了详细的原子结构，表明填充态和空态图像的明亮挤压大部分位于Sn原子的位置。 (C) 2016 Elsevier B.V. 保留所有权利。
SnSe has been widely studied due to its many potential applications that take advantage of its excellent thermoelectric, photovoltaic, and optoelectronic properties. However, experimental investigations into the microscopic structure of SnSe remain largely unexplored. Herein, for the first time, the atomic and electronic structures of SnSe surfaces are studied by a home-built low temperature scanning tunneling microscope (STM) and density functional theory (DFT) calculations. The cleaved surface of SnSe is comprised of covalently bonded Se and Sn atoms in zigzag patterns. However, rectangular periodicity was observed in the atomic images of SnSe surfaces for filled and empty state probing. Detailed atomic structures are analyzed by DFT calculations, indicating that the bright extrusions of both filled and empty state images are mostly located at the positions of Sn atoms. (C) 2016 Elsevier B.V. All rights reserved.