Abstract
Abstract The phase transitions in CsZnPO4 at approximately 583 K and 533 K: Pnma (I) → Pn21 a (II) → P21/a (III) are analyzed by group theoretical methods and structural data published for the three polymorphic forms. An order parameter treatment of the phase transformations is presented in terms of the Landau formalism and projection operator techniques. A collective tilting of the ZnO4- and PO4-tetrahedra is taken as the primary order parameter for both transitions. In the case of the I → II transformation, the order parameter transforms according to the irreducible representation Γ 4 − of Pnma. The rotational distortion pattern in phase III can be explained by onset of an order parameter transforming according to the zone boundary representation X2 of phase I. Other distortions (Zn-, P- and Cs-ion displacements, polarization or strain components) can couple to the primary order parameters. The microscopic distortion patterns for the possible displacements as well as the expected domains are listed.
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