Photoinduced charge dynamics in 1T−TaS2

Nonequilibrium cluster dynamical mean-field theory simulations of a realistic multilayer structure are used to study the charge carrier dynamics induced by a laser pulse in 1$T$-TaS${}₂$. The solution is propagated up to picosecond timescales and shows that long-lived charge excitations only exist in the surface state of a specific structure, while the disturbance of bonding states in the bilayers that make up the bulk of the structure explain the almost instantaneous appearance of in-gap states reported in recent experiments.