Compensation behavior in (Fe–Ni) core–shell nanostructures: Heisenberg Monte Carlo simulations

By performing atomistic simulations, we have studied some features of classical Heisenberg model using the statistical Monte Carlo method MC under the Hinzke–Nowak algorithm. First, we have deeply explored magnetic and thermal properties of a core–shell nanosphere model and investigate the behaviors of the temperature-dependent magnetization, magnetic susceptibility and phase diagrams for different possible exchange interactions. The obtained results show the existence of diverse -types behaviors in the Néel classification nomenclature. Then, we have applied the same computational method to the real (Fe, Ni) nanostructure using experimental values of magnetic parameters for iron and nickel. It is demonstrated that (Fe, Ni) nanoparticle exhibits a compensation phenomenon compatible with those found in the experimental studies.