Abstract

We present the results of mean-field calculations on a symmetry based semimicroscopic model for betaine calcium chloride dihydrate. The model takes into account the three degrees of freedom associated with the lowest energy phonon branches as relevant variables and experimental inelastic neutron scattering data and observed transition temperatures are used to fit the coupling constants of the model potential. Although the method does not allow us to predict incommensurate phases, the results show the failure of previous models based on continuous variables to reproduce the observed phase diagram. The insertion of a new term in the model potential corresponding to anharmonic interactions between nearest neighbours is shown to be crucial to stabilize some experimentally observed commensurate phases.

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