Figure 4
From: Understanding the origin of band gap formation in graphene on metals: graphene on Cu/Ir(111)
Results of the electronic structure DFT modelling for graphene/Cu/Ir(111).
(a) Carbon-atom projected site-resolved partial density of states for the graphene-derived π states. Greyed plot shows the corresponding DOS for the free-standing graphene. The band gap region is marked by the shadow area. Inset shows the simulated STM image corresponding to the experimental results obtained at UT = −0.3 V. The high-symmetry positions are marked by the symbols similar to Fig. 1. (b) Side view of the graphene/Cu/Ir(111) system with the corresponding difference electron density, Δρ(r) = ρgr/Cu/Ir(111)(r) − ρIr(111)(r) − ρCu(111)(r) − ρgr(r), plotted in units of e/Å3.
