Study of pressure influence on thermal transition in spin-crossover nanomaterials

Abstract

The thermal transition accompanied by the variation of the molecular volume in nanoparticles of spin-crossover materials has been studied on the basis of microscopic Ising-like model solved using Monte Carlo methods. For considered model, we examined the spin-crossover phenomenon with applied hydrostatic pressure and thus was shown the possibility to shift transition temperature toward its room value. The obtained results of numerical simulations are in agreement with the experimental ones.