Fig. 9. Work function Φ of a Cu(111) slab (relative to the work function of a 6 layer-slab) as a function of the number of layers in the slab calculated with GGA-type xc functional PBE (red) and the hybrid functional PBE0 (blue). The calculations were done for a primitive surface unit cell containing 1 atom per layer with 11 × 11 (solid line) and 33 × 33 (dashed line) k-points. Calculations were done with FHI-aims using the “tight” defaults. Further details and results can be found at https://dx.doi.org/10.17172/NOMAD/2020.12.07-1.
