Does Silicene on Ag(111) Have a Dirac Cone?

Abstract

We investigate the currently debated issue of the existence of the Dirac cone in silicene on an Ag(111) surface, using first-principles calculations based on density functional theory to obtain the band structure. By unfolding the band structure in the Brillouin zone of a supercell to that of a primitive cell, followed by projecting onto Ag and silicene subsystems, we demonstrate that the Dirac cone in silicene on Ag(111) is destroyed. Our results clearly indicate that the linear dispersions observed in both angular-resolved photoemission spectroscopy (ARPES) [P. Vogt et al, Phys. Rev. Lett. 108, 155501 (2012)] and scanning tunneling spectroscopy (STS) [L. Chen et al, Phys. Rev. Lett. 109, 056804 (2012)] come from the Ag substrate and not from silicene.

5 pages, 3 figures

References in corpus (4)

• Electronic structure of silicon-based nanostructures
• Unfolding first-principles band structures
• Recovering hidden Bloch character: Unfolding Electrons, Phonons, and Slabs
• Absence of Dirac Electrons in Silicene on Ag (111) Surfaces

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• Stabilized silicene within bilayer graphene: A proposal based on molecular dynamics and density-functional tight-binding calculations
• Compelling experimental evidence of a Dirac cone in the electronic structure of a 2D Silicon layer
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• Dirac Cone Pairs in Silicene Induced by Interface Si-Ag Hybridization: A First Principles Effective Band Study
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• Electron Transport Through Ag-Silicene-Ag Junctions
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• Does the Dirac Cone Exist in Silicene on Metal Substrates?