Computation of the exchange interactions in CaCu3Fe2Os2O12 quadruple perovskite: Monte Carlo Simulation

This paper focuses to establish a method for estimating the exchange interactions in Quadruple Perovskite CaCu3Fe2Os2O12, based on a correlation between internal energy and magnetism at each site and Monte Carlo Simulations (MCS) according to the Ising model. We have computed the exchange interactions using the experimental temperature value of this material, identified under an external field h = 0.1 T , using also a renormalization parameter alpha. The internal energy of each magnetic arrangement has been computed together with the magnetization at each site, the magnetic susceptibility, and the specific heat. Finally, a comparison of our simulation results with other has been performed. The Exchange interactions obtained are JCu_Fe = 13.15 meV, JCu_ Os = 37.58 meV, JFe_ Os = 46.98 meV , JCu_ Cu = 0.13 meV , JFe_Fe = 0.07 meV and JOs_ Os = 0.02 meV.