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Abstract
Monte Carlo simulations have been carried out to clarify the controversy about the atomic nature of the 1/2{111} ordered domains by using an electrostatic model with varying Coulomb interacting radius. It is revealed that, while the ordered domains is in agreement with the random-layer model, it is possible for the existence of 2∼5nm space-charged clusters embedded in the random-layer matrix when the ordered domains are large enough. This could explain the existing experimental results on the ordered structure of La-doped and undoped PMN.