Monte Carlo simulations for 1- and 2D spin crossover compounds using the atom–phonon coupling model

In this contribution we have simulated, using the Monte Carlo–Metropolis technique, the thermal behavior of an one dimensional and of a square lattice spin crossover system.In the one dimensional case, a long-range interaction parameter must be included in order to obtain a thermal hysteresis. For the square lattice we have tacked into account the nearest as well the next-nearest neighbors. We show the role of the elastic constant ratio on the hysteresis width.

Graphical abstractThermal behaviour of an one and two dimensional lattice spin crossover systems has been simulated using MonteCarlo-Metropolis technique in the framework of the atom-phonon coupling model.The high spin fraction evolution in function of the reduced temperature, obtained for 2D system using:Figure optionsDownload full-size imageDownload as PowerPoint slide