Abstract
Starting from Bogolyubov's inequality, we derive a variational form for the Helmholtz free energy to study the ferroelastic phase transitions in simple ionic molecular solids. The coefficients of the Landau expansion of in terms of the five orientational order parameters () are calculated from a rotation-translation Hamiltonian which has been used with reasonable success to explain the thermoelastic anomalies of the orientationally disordered phase. Detailed calculations have been performed for CsCN to understand the first-order phase transition from the pseudocubic () to trigonal () phase. Various aspects of this transition resulting from the interplay of direct and lattice-mediated interactions and limitations of the currently used models to describe the physical properties of alkali cyanides are discussed.
- Received 22 August 1983
DOI:https://doi.org/10.1103/PhysRevB.29.340
©1984 American Physical Society