MONTE CARLO SIMULATION IN THE STUDY PHASE TRANSITIONS OF MAGNETIC NANO-MATERIALS

Abstract

We present in this paper the principles and structure of Monte Carlo simulation method. Used to study in a simple cubic lattice with Ising spin, nearest and next-nearest neighbor antiferromagnetic interactions, J₁ and J₂ indicated, we show that the ground state depends on the ratio . For , the ground state is very particular with a 6-fold degeneracy, the system is shown to retain only the collinear spin configuration at low temperatures. By extensive standard Monte Carlo simulation, we have calculated the different thermodynamic quantities such as energy, magnetization, specific heat and susceptibility. The phase transition is indicated by the anomalies of these quantities. The nature of phase transition is also studied by histogram technique, results obtained is a strong first-order transition.