Revealing the substrate origin of the linear dispersion of silicene/Ag(111)

Abstract

The band structure of the recently synthesized (3$\times$3) silicene monolayer on (4$\times$4) Ag(111) is investigated using density functional theory. A $k$-projection technique that includes the $k_{\perp }$-dependence of the surface bands is used to separate the contributions arising from the silicene and the substrate, allowing a consistent comparison between the calculations and the angle-resolved photoemission experiments. Our calculations not only reproduce the observed gap and linear dispersion across the K point of (1$\times$1) silicene, but also demonstrate that these originate from the $k_{\perp }$-dependence of Ag(111) substrate states (modified by interactions with the silicene) and \textit{not} from a Dirac state.

5.1 pages, 3 figures, accepted for publication in Nano Letters

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• Effects of magnetic dopants in (Li${}_{0.8}$M${}_{0.2}$OH)FeSe (M = Fe, Mn, Co): a density-functional theory study using band unfolding technique
• Crossover between Silicene and Ultra-Thin Si Atomic Layers on Ag(111) Surfaces