Abstract
Using different lattice potential calculation models, the authors attempt to explain the phase transition process and the evolution with the temperature of the CN- molecule orientation in KCN. These calculation are made for the pseudo-cubic phase and consist of a comparison between two lattice potential models, one in which a three-body interaction is introduced to take account of the anisotropic evolution with temperature of the elastic constants, and the other-a so-called 'pseudo-oriented dipole' model-in which calculations are made with CN- elastic dipoles oriented along the principal (110), (001) and (111) cubic directions of the pseudo-cubic phase.
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