Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements

V. Panchal, S. López-Moreno, D. Santamaría-Pérez, D. Errandonea, F. J. Manjón, P. Rodríguez-Hernandez, A. Muñoz, S. N. Achary, and A. K. Tyagi
Phys. Rev. B 84, 024111 – Published 7 July 2011

Abstract

X-ray diffraction and Raman-scattering measurements on cerium vanadate have been performed up to 12 and 16 GPa, respectively. Experiments reveal 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 T(Eg) and internal ν2(B2g) bending modes. We attribute 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 nonhydrostatic stresses on the structural sequence is studied and the equations of state of different phases are reported.

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  • Received 14 March 2011

DOI:https://doi.org/10.1103/PhysRevB.84.024111

©2011 American Physical Society

Authors & Affiliations

V. Panchal1, S. López-Moreno2, D. Santamaría-Pérez3, D. Errandonea1,*, F. J. Manjón4, P. Rodríguez-Hernandez2, A. Muñoz2, S. N. Achary5, and A. K. Tyagi5

  • 1Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C/Dr. Moliner 50, 46100 Burjassot (Valencia), Spain
  • 2Departamento de Física Fundamental II, Instituto de Materiales y Nanotecnología, Universidad de La Laguna, La Laguna 38205, Tenerife, Spain
  • 3Departamento de Química Física I–MALTA Consolider Team, Universidad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid, Spain
  • 4Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team, Universidad Politécnica de Valencia, Camino de Vera s/n, 46022 Valencia, Spain
  • 5Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085, India

  • *daniel.errandonea@uv.es

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Vol. 84, Iss. 2 — 1 July 2011

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