Monte Carlo simulation of magnetoelectric coupling in multiferroic BiFeO3

A Monte Carlo method is developed to simulate the magnetoelectric coupling in multiferroic BiFeO3 with coexistence of ferroelastic, ferroelectric, and antiferromagnetic order parameters. Long-range interactions among dipoles and spins are summed through cutoff, while elastic interactions among transformation strain are evaluated using Green’s function method. Short-range interactions among ferroelectric dipoles and antiferromagnetic spins are also considered. Through the Monte Carlo simulation, coupled ferroelastic, ferroelectric, and antiferromagnetic domains are demonstrated, the switching of magnetic spins by electric field is verified, and mechanical switching of spins is also predicted.