Local properties in orientationally disordered crystals with translation-rotation coupling

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Abstract
In orientationally disordered crystals, the translation-rotation coupling affects both collective and local properties near ferroelastic phase transitions. The anomalous temperature behavior of the static mean-square displacements is investigated. The single-particle orientational distribution function in a deformable lattice is calculated and it is shown that molecular symmetry plays an essential role in addition to site symmetry. The theory is applied to a quantitative study of the alkali cyanides in the disordered phase and leads to an understanding of experimental results.