Zircon to monazite phase transition in CeVO4

Details Zircon to monazite phase transition in CeVO4 Zircon to monazite phase transition in CeVO4

2011-05-02

arxiv.org/abs/1105.0272v1

Physical Review B 84, 024111 (2011)

Physics

Condensed Matter

Materials Science

45 pages, 8 figures, 8 tables

Scientific paper

10.1103/PhysRevB.84.024111

X-ray diffraction and Raman-scattering measurements on cerium vanadate have been performed up to 12 and 16 GPa, respectively. Experiments reveal that at 5.3 GPa the onset of a pressure-induced irreversible phase transition from the zircon to the monazite structure. Beyond this pressure, diffraction peaks and Raman-active modes of the monazite phase are measured. The zircon to monazite transition in CeVO4 is distinctive among the other rare-earth orthovanadates. We also observed softening of external translational Eg and internal B2g bending modes. We attributed it to mechanical instabilities of zircon phase against the pressure-induced distortion. We additionally report lattice-dynamical and total-energy calculations which are in agreement with the experimental results. Finally, the effect of non-hydrostatic stresses on the structural sequence is studied and the equations of state of different phases are reported.

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