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.

arXiv comment5.1 pages, 3 figures, accepted for publication in Nano Letters

References in corpus (11)

• Two and one-dimensional honeycomb structures of silicon and germanium
• Epitaxial Growth of a Silicene Sheet
• Evidence of silicene in honeycomb structures of silicon on Ag(111)
• Evidence for Dirac Fermions in a honeycomb lattice based on silicon
• Growth of silicene layers on Ag(111): unexpected effect of the substrate temperature
• Spontaneous Symmetry Breaking and Dynamic Phase Transition in Monolayer Silicene
• On the electronic structure of silicene on Ag substrate: strong hybridization effects
• Does Silicene on Ag(111) Have a Dirac Cone?
• Epitaxial graphene on SiC(0001): More than just honeycombs
• Silicene on Ag(111): an honeycomb lattice without Dirac bands
• Absence of Dirac Electrons in Silicene on Ag (111) Surfaces

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