Fig. 5
a Deformation charge density, Δρ1(r) = ρ(r) − ∑μρatom(r − Rμ), in the monolayer MoS2. b Differences between the charge densities of monolayer and the corresponding layer of bulk. c The interlayer charge density redistribution of bilayer MoS2. Contour interval of a is 2.5 × 10−2 e/Å3, while both those of b and c are 2.5 × 10−4 e/Å3. Solid orange and dashed blue lines correspond to Δρ > 0 and Δρ < 0, respectively