Figure 5: Electronic structure of monolayer ReS2 from ab initio calculations.
From: Disorder engineering and conductivity dome in ReS2 with electrolyte gating
(a) Ball-and-stick representation of the atomic structure of monolayer ReS2. Lattice vectors (a1,a2) and unit cell (dashed lines) are illustrated. (b) Brillouin zone and primitive vectors (b1,b2) of reciprocal lattice. (c) Energy bands calculated along high-symmetry directions connecting the vertices defined in b and k-integrated density of states (right panel). The lowest energy conductance band, as well as its contribution in the DOS are highlighted in purple. (d) Density of states modification due to addition of ions with the concentration nions=(N+−N−)/Ncells on top of conductivity channel calculated using our transport model. Colour code corresponds to the amount of ions nions. (e) Close-up view of the conduction band edge. (f) Conductivities σx and σy as a function of ionic concentration nions for directions parallel and perpendicular to the easy axis (along Re chains), respectively, calculated using the Kubo formula.
