Abstract
In this work, we proposed a particle swarm optimization algorithm combined with Monte Carlo simulation method to investigate the magnetic properties of a single-molecule magnetic metallofullerene cluster DySc2N@C80. Based on the experimental results, we estimated the values of the exchange coupling and the anisotropy of the present system according to the critical temperature TC, which achieved a good agreement between simulated and experimental results. In addition, we also obtained the influence of size effect, the curves of magnetization, magnetic susceptibility and internal energy induced by external magnetic field and hysteresis behaviors at different temperatures.
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