Competition between photoexcitation and relaxation in spin-crossover complexes in the frame of a mechanoelastic model

In this paper we use a recently proposed elastic model in order to study the competition between linear photoexcitation and cooperative relaxation in spin-crossover molecular magnets. The difference in molecular size between the two possible spin states, that is, the high-spin and the low-spin states, respectively, induces distortions of the crystal lattice. These determine the elastic interactions between molecules, treated here as connecting springs that are either compressed or extended from their equilibrium length, thus modulating the local probability for the high-spin→ low-spin relaxation. The crossover of individual molecules within the lattice is checked by a standard Monte Carlo procedure. Using very simple assumptions and a minimum number of parameters, photoexcitation curves and hysteresis loops under continuous irradiation below the thermal transition temperature can thus be simulated. The formation of clusters is analyzed and the presence of inhomogeneities in the system is investigated.