Fig. 2

Electronic structures of monolayer MoS₂ in equilibrium geometry and with the displacement along a specific coherent phonon mode. a The band structure with the equilibrium geometry. b Zoomed-in view of the CBM near the K valley with a displacement along E″. c The variations in the inclination of the spin angle and the up/down splitting (Δε_gap) with respect to the magnitude of the displacement along the E″ phonon mode. d Zoomed-in view of the CBM near the K valley with the equilibrium geometry and with the displacement along the other three zone-center phonon modes E′, A₁, A₂″. In b, d the displacement vectors are normalized such that the maximum shift of the atomic position is 0.1 Å. The dashed box in a indicates the window for the zoom in b and d. Inset in c depicts the direction of the atomic displacement in y direction. Further details of the role of the E″ phonon mode are given in Supplementary Table 1 and Supplementary Figs. 3 and 4