engleski

Model for paramagnetic probe in hydrogen bonded ferroelectric

The modified strong dipole-proton coupling model and Monte Carlo calculation are employed to describe paramagnetic defect in hydrogen bonded ferroelectric. In this model, probe is treated as "soft" dipole impurity in the system with N = 108 dipoles. The effective double-well type potential of the probe is obtained and its temperature dependence in the paraelectric phase is studied. It is shown that the experimentally detected activation energy of the polarization fluctuation of the SeO43- probe can be related to the effective activation energy. The model is compared with the earlier proposed local "pseudo freeze-out" model which exhibits larger deviation from the experimental results than the suggested modified strong dipole-proton coupling model.

hydrogen bonded ferroelectric; paramagnetic defect; SeO43-probe

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