Three stable states simulated for 1D Spin-Crossover Nanoparticles using the Ising-Like model
Abstract
In the present work, numerical simulations for spin
crossover 1D nanoparticles embedded in a matrix are presented and
discussed in the framework of the Ising-like model taking into account
short- (J), long-range (G) interaction as well as the interaction (L)
between the surface molecules and the surroundings. Using a new
algorithm, detailed in this contribution, to calculate the density of
states for each macro-state, we have obtained a three-state thermal
behaviour for some sets of parameters. We analyse the role of these
different parameters, as well as the number of 1D SCO molecules, in
the monitoring of this particular behaviour.