Atomic and electronic structures of the (root 13 x root 13)R13.9 degrees of silicene sheet on Ag(111)
Abbreviated Journal Title
Appl. Surf. Sci.
Silicene; Si; Ag; STM; Ab initio calculations; DFT; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; BASIS-SET; SURFACE; GRAPHENE; GROWTH; METALS; FILMS; Chemistry, Physical; Materials Science, Coatings & Films; Physics, ; Applied; Physics, Condensed Matter
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. (C) 2014 Elsevier B.V. All rights reserved.
Applied Surface Science
"Atomic and electronic structures of the (root 13 x root 13)R13.9 degrees of silicene sheet on Ag(111)" (2014). Faculty Bibliography 2010s. 6171.