Quasiparticle band structures and optical properties of strained monolayer MoS 2 and WS 2

The quasiparticle (QP) band structures of both strainless and strained monolayer MoS${}_{2}$ are investigated using more accurate many-body perturbation $\mathit{GW}$ theory and maximally localized Wannier functions (MLWFs) approach. By solving the Bethe-Salpeter equation (BSE) including excitonic effects on top of the partially self-consistent $\mathit{GW}$${}_{0}$ (sc$\mathit{GW}$${}_{0}$) calculation, the predicted optical gap magnitude is in good agreement with available experimental data. With increasing strain, the exciton binding energy is nearly unchanged, while optical gap is reduced significantly. The sc$\mathit{GW}$${}_{0}$ and BSE calculations are also performed on monolayer WS${}_{2}$, similar…