Buckled Silicene Formation on Ir(111)
Buckled Silicene Formation on Ir(111)
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DOI：
10.1021/nl304347w
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发表时间：
2013-02-01
期刊：
影响因子：
10.8
通讯作者：
Gao, Hong-Jun
中科院分区：
文献类型：
--
作者：
Meng, Lei;Wang, Yeliang;Gao, Hong-Jun
硅烯是一种类似于石墨烯的二维蜂窝结构，已成功地在Ir(111)衬底上制备出来。低能电子衍射和扫描隧道显微镜显示，它是相对于衬底晶格的(根7X根7)超结构。这种超结构与硅烯的(根3x根3)超晶格相吻合。第一性原理计算证实这是一个(根3X根3)硅烯/(根7X根7)Ir(111)构型，并且它具有弯曲构象。重要的是，计算的电子局域化函数表明，Ir(111)衬底上的硅附着层具有2D连续性。这项工作为制备高质量的硅烯提供了一种方法，并解释了硅烯弯曲片的形成。
Silicene, a two-dimensional (2D) honeycomb structure similar to graphene, has been successfully fabricated on an Ir(111) substrate. It is characterized as a (root 7X root 7) superstructure with respect to the substrate lattice, as revealed by low energy electron diffraction and scanning tunneling microscopy. Such a superstructure coincides with the (root 3x root 3) superlattice of silicene. First-principles calculations confirm that this is a (root 3x root 3)silicene/(root 7X root 7)Ir(111) configuration and that it has a buckled conformation. Importantly, the calculated electron localization function shows that the silicon adlayer on the Ir(111) substrate has 2D continuity. This work provides a method to fabricate high-quality silicene and an explanation for the formation of the buckled silicene sheet.