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High-pressure phase transformations in NdVO4 under hydrostatic, conditions: a structural powder x-ray diffraction

T Marqueño1, V Monteseguro1, F Cova2

  • 1Departament de Física Aplicada-ICMUV, Universitat de València, Dr. Moliner 50, 46100 Burjassot, Spain.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|March 8, 2019
PubMed
Summary

High-pressure experiments reveal new phase transitions in neodymium orthovanadate (NdVO4). This study details a novel zircon-to-scheelite transition and a subsequent transformation to a fergusonite-type structure under quasi-hydrostatic conditions.

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Area of Science:

  • Materials Science
  • Solid State Chemistry
  • Mineral Physics

Background:

  • Neodymium orthovanadate (NdVO4) crystallizes in the zircon-type structure.
  • Understanding the high-pressure behavior of rare-earth orthovanadates is crucial for materials science.
  • Previous studies on similar compounds were often conducted under non-hydrostatic conditions, potentially influencing observed phase transitions.

Purpose of the Study:

  • To investigate the high-pressure structural behavior of zircon-type NdVO4 under quasi-hydrostatic conditions.
  • To identify and characterize phase transitions occurring in NdVO4 at room temperature.
  • To compare the high-pressure behavior of NdVO4 with other rare-earth orthovanadates.

Main Methods:

  • Angle dispersive powder X-ray diffraction was employed.
  • Experiments were conducted at room temperature under quasi-hydrostatic pressures up to 24.5 GPa.
  • Data analysis focused on structural changes and compressibility.

Main Results:

  • NdVO4 undergoes two distinct phase transitions at 6.4 GPa and 19.9 GPa.
  • The first transition (6.4 GPa) is a novel zircon-to-scheelite-type phase transition, contradicting prior non-hydrostatic studies.
  • The second transition (19.9 GPa) involves a transformation to a fergusonite-type structure, a monoclinic distortion of the scheelite-type.

Conclusions:

  • Quasi-hydrostatic conditions reveal new high-pressure polymorphs in NdVO4.
  • The role of non-hydrostatic stresses is critical in understanding the structural behavior of rare-earth orthovanadates.
  • The compressibility and axial anisotropy of different NdVO4 polymorphs were determined.