2017/02/28 by Chao Lian, Sheng Meng · 21 citations
Materials Science · Physics and Astronomy · #Angle-resolved photoemission spectroscopy #Atomic orbital #Brillouin zone #Carbon Nanotubes in Composites #Condensed matter physics #Density functional theory #Dirac (video compression format) #Electron #Electronic band structure #Electronic structure #Graphene #Graphene research and applications #Physics #Quantum mechanics #Silicene #Topological Materials and Phenomena #cond-mat.mes-hall
paper · pdf · doi:10.1103/physrevb.95.245409
published in Physical review. B./Physical review. B 95(24) (American Physical Society)
openalex publication_date 2017/06/09 · arxiv created 2017/06/10 · arxiv updated 2017/06/14 · openalex created_date 2017/06/15 · openalex updated_date 2026/08/05
Using density functional theory combined with orbital-selective band unfolding techniques, we study the effective band structure of silicene (3\ifmmode×\else\texttimes\fi3)/Ag(111) (4\ifmmode×\else\texttimes\fi4) structure. Consistent with the ARPES spectra recently obtained by [Feng et al. Proc. Natl. Acad. Sci. USA 113, 14656 (2016)], we observe six pairs of Dirac cones near the boundary of the Brillouin zone (BZ) of Ag(1\ifmmode×\else\texttimes\fi1), while no Dirac cone is observed inside the BZ. Furthermore, we find that these Dirac cones are induced by the interfacial Si-Ag hybridization, mainly composed of Si pz orbitals and Ag sp bands, which is intrinsically different from the Dirac cones in free-standing silicene.