Theoretical Insights into Ultrafast Dynamics in Quantum Materials
Atomic and electronic properties of the three states in 1T-TaS2. Atomic structure of 1T-TaS2 in CDW state with a superlattice (blue rhombus). Inset shows the undistorted 1T phase of bulk TaS2. (b) Atomic structure of the laser induced M state. (c) Radial distribution of Ta-Ta distances in different states. The T phase is presented in green with the nearest Ta-Ta distances of 3.36 Å. (d) In-plane density of states (DOS) for the three states.