Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)
Wei Wei1, Ying Dai1, Baibiao Huang1
1†School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Shanda South Road 27, 250100 Jinan, People's Republic of China.
Abstract:
The structure of silicene/Ir(111) was examined on the basis of density functional theory. We have found that Ir(111) preserves the 2D character of silicene but significantly distorts its structure from the trigonal one expected for an isolated silicene. The electronic structure of silicene is strongly hybridized with that of Ir(111) so that silicene on Ir(111) loses its linear band dispersion around the Fermi level, giving rise to a metallic band structure; however, silicene/Ir(111) exhibits a hidden linear-dispersive band, which is related to the linear-dispersive conduction band of an isolated silicene.
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