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银和碲在银(111)表面形成的二维二元蜂窝层

Two-Dimensional Binary Honeycomb Layer Formed by Ag and Te on Ag(111).

作者信息

Shah J, Sohail H M, Uhrberg R I G, Wang W

机构信息

Department of Physics, Chemistry, and Biology, Linköping University, S-581 83 Linköping, Sweden.

出版信息

J Phys Chem Lett. 2020 Mar 5;11(5):1609-1613. doi: 10.1021/acs.jpclett.0c00123. Epub 2020 Feb 12.

Abstract

Inspired by the unique properties of graphene, research efforts have broadened to investigations of various other two-dimensional materials with the aim of exploring their properties for future applications. Our combined experimental and theoretical study confirms the existence of a binary honeycomb structure formed by Ag and Te on Ag(111). Low-energy electron diffraction shows sharp spots which provide evidence of an undistorted AgTe layer. Band structure data obtained by angle-resolved photoelectron spectroscopy are closely reproduced by first-principles calculations, using density functional theory (DFT). This confirms the formation of a honeycomb structure with one Ag and one Te atom in the unit cell. In addition, the theoretical band structure reproduces also the finer details of the experimental bands, such as a split of one of the AgTe bands.

摘要

受石墨烯独特性质的启发,研究工作已扩展到对各种其他二维材料的研究,旨在探索它们在未来应用中的性质。我们结合实验和理论的研究证实了在Ag(111)上由Ag和Te形成的二元蜂窝结构的存在。低能电子衍射显示出清晰的斑点,这为未畸变的AgTe层提供了证据。利用密度泛函理论(DFT)通过第一性原理计算精确再现了角分辨光电子能谱获得的能带结构数据。这证实了在单胞中形成了具有一个Ag原子和一个Te原子的蜂窝结构。此外,理论能带结构还再现了实验能带的更精细细节,例如AgTe能带之一的分裂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfa2/7343276/71f42ebf63e2/jz0c00123_0001.jpg

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