Fig. 4: Electronic structure of 2D metal films from angle-resolved photoelectron spectroscopy (ARPES) and Density Functional Theory (DFT).
From: Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures
a–d ARPES along Γ – Κ direction of the surface Brillouin zone (SBZ) of Ir(111) taken with the photon energy of 60 eV from (a) pristine Ir(111), (b) 1 ML Au on Ir(111), (c) 2 ML Au on Ir(111), (d) 1 ML Au on B/Ir(111). “SS” stands for “surface state”. e–g Top and side view of the geometry-optimized slab models used in the band-structure calculations: (e) 1 ML Au on Ir(111), (f) 2 ML Au on Ir(111), (g) 1 ML Au on B/Ir(111). Colour coding: Ir atoms are grey, B atoms are green, Au atoms are orange. h–j Calculated band structures along Γ – Κ direction of the SBZ of Ir(111), (h), (i) and (j) are calculated for the models (e), (f) and (g), respectively. Contributions from the Au 6pz states and B 2pz states are highlighted with red and green circles, respectively.
