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IOP Publishing, Journal of Physics: Condensed Matter, 2(34), p. 025404, 2021

DOI: 10.1088/1361-648x/ac2f6e

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Lattice dynamics of zircon-type NdVO<sub>4</sub> and scheelite-type PrVO<sub>4</sub> under high-pressure

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Abstract Zircon-type NdVO4 and scheelite-type PrVO4 have been studied by means of Raman spectroscopy up to approximately 20 GPa. In the first compound, zircon-scheelite and scheelite-fergusonite phase transitions are reported at 6.4(3) and 19.6(4) GPa, respectively. In the case of scheelite-type PrVO4, a reversible phase transition to a PbWO4-III structure is observed at 16.8(5) GPa. In both cases, a scheelite-type structure is recovered in a metastable state at low pressures. The pressure evolution of the Raman modes is also reported. Our experimental findings are supported by ab initio calculations, which allowed us to discuss the role of mechanic and dynamical instabilities in the phase transition mechanisms.