Abstract
The dynamics of photoinduced phase transition in spin-crossover materials is studied using numerical simulations of a microscopic two-variable anharmonic model, in close connection with photocrystallographic experiments on the prototype system $[\text{Fe}{(\text{btr})}_{2}{(\text{NCS})}_{2}].{\text{H}}_{2}\text{O}$. A comparative analysis of the simulated diffraction pattern with excitation duration and intensity as variables is performed. Nonlinear dynamics, threshold effect in excitation intensity and light-induced phase separation are modeled and attributed to a strong electron-lattice coupling, mediated by long-range elastic interactions. Photoinduced nucleation and domain growth of the metastable high-spin phase is evidenced and quantitatively explained in the Avrami formalism.
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