Size dependent thermal hysteresis in spin crossover nanoparticles reflected within a Monte Carlo based Ising-like model

Spin crossover compounds are photo-magnetic bistable molecular magnets with two states in thermodynamic competition: the diamagnetic low-spin state and paramagnetic high-spin state. The thermal transition between the two states is often accompanied by a wide hysteresis, premise for possible application of these materials as recording media. In this paper we study the influence of the system's size on the thermal hysteresis loops using Monte Carlo simulations based on an Arrhenius dynamics applied for an Ising like model with long- and short-range interactions. We show that using appropriate boundary conditions it is possible to reproduce both the drop of hysteresis width with decreasing particle size, the hysteresis shift towards lower temperatures and the incomplete transition, as in the available experimental data. The case of larger systems composed by several sublattices is equally treated reproducing the shrinkage of the hysteresis loop's width experimentally observed. ► A study concerning size effects in spin crossover nanoparticles hysteresis is presented. ► An Ising like model with short- and long-range interactions and Arrhenius dynamics is employed. ► In open boundary system the hysteresis width decreases with particle size. ► With appropriate environment, hysteresis loop is shifted towards lower temperature and transition is incomplete.