Atomic and electronic structures of the (root 13 x root 13)R13.9 degrees of silicene sheet on Ag(111)

作者：Tchalala Mohamed Rachid; Enriquez Hanna; Yildirim Handan; Kara Abdelkader; Mayne Andrew J; Dujardin Gerald; Ali Mustapha Ait; Oughaddou Hamid^*

来源：Applied Surface Science, 2014, 303: 61-66.

DOI：10.1016/j.apsusc.2014.02.064

• Silicene
• Si
• Ag
• STM
• Ab initio calculations
• DFT

Using scanning tunneling microscopy, low energy electron diffraction measurements, and ab initio calculations based on density functional theory, we present atomic models of the (root 13 x root 13)R13.9 degrees silicene superstructure grown on Ag(1 1 1). The STM images reveal two co-existing atomic arrangements with two different orientations of the silicene sheet relative to the Ag(1 1 1) surface. DFT calculations with and without the inclusion of van der Waals interactions show corrugated Si atomic positions for both orientations implying a significant interaction with Ag(1 1 1) surface. The electronic structure of both silicene and Ag(1 1 1) surface are sufficiently affected that new interface states emerge close to the Fermi level.

• 出版日期2014-6-1