fig3

Figure 3. (A) Isosurface of electron localization function plotted with the value of 0.5 au and (B) ELF maps sliced perpendicular to (001) direction of CuB monolayer. In the ELF maps, the red and blue colors refer to the highest value (0.88) and the lowest value (0.00) of ELF, indicating electron accumulation and depletion in different colored regions, respectively.