Shape, size, pressure and matrix effects on 2D spin crossover nanomaterials studied using density of states obtained by dynamic programming

Overview & Synopsis

In the present work, numerical simulations based on a new algorithm speci c for 2D con gurational topology of spin crossover nanoparticles embedded in a matrix are presented and discussed in the framework of the Ising-like model taking into account for short- (J) and long-range (G) interactions as for surface effects (L). The new al- gorithm is applied to calculate the density of states for each macro-state, which is then used to calculate exactly the thermal behavior of spin-crossover nanoparticles under an applied pressure. We nd that the pressure plays the role of a conjugate parameter of the temperature. Thus, increasing pressure is somehow equivalent to reducing the temperature.