Abstract

We present novel results on the mechanism of theα–β structural phase transition (STP) occurring inFePO4. High accuracy x-ray diffraction experiments followed by a structural analysis provide uswith precise information on the thermal disorder change on different atomic sites. The dataare analysed in the light of lattice dynamics simulation results. The rigid unitmode (RUM) approach of the dynamics simulation allows an understanding ofthe anisotropic displacement parameters (ADPs). Surprisingly, the role of criticalfluctuations of the order parameter, in the sense of Landau and Lifshitz theory,appears not to be relevant in the case of this SPT and the understanding of thedynamics requires a knowledge and analysis of the microscopic details of the system.

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