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The PNR to Relaxor Transition in PSN with nearest neighbor Pb-O divacancies

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In previous work, molecular dynamics simulations based on a first-principles-derived effective Hamiltonian for Pb1-X(Sc1/2Nb1/2)O3-X (PSN), with nearest-neighbor Pb-O divacancy pairs, was used to calculate X[Pb-O] vs. T, phase diagrams for PSN with: ideal rock... ...