Properties of 2D hexagonal spin-crossover nanosystem: a Monte Carlo study

Abstract

The behavior of thermal hysteresis of 2-D hexagonal spin-crossover nanosystem was studied on the basis of microscopic approach, using an Ising-like model. The results were obtained using Monte Carlo method based on the Metropolis algorithm. In the framework of the considered model, a relation between the system size and interaction strength of the neighbor spin-crossover molecules was established. By applying external pressure, a narrowing of the system’s hysteresis and a shift of the transition curves toward higher temperature were observed. The application of pressure also leads to a switching between the HS and LS states of the system, which makes such system promising and desirable in sensor applications (as pressure sensors). The influence of the defects on the system transition curves was investigated. Presence of which leads to the narrowing of the hysteresis width. The obtained results of numerical simulations are in accordance with available theoretical and experimental ones of other authors.