Lattice dynamics of zircon-type NdVO4and scheelite-type PrVO4under high-pressure

T Marqueño; J Pellicer-Porres; D Errandonea; D Santamaria-Perez; D Martinez-Garcia; P Rodríguez-Hernández; A Muñoz; I Nieves-Pérez; S N Achary; M Bettinelli

doi:10.1088/1361-648X/ac2f6e

Lattice dynamics of zircon-type NdVO₄and scheelite-type PrVO₄under high-pressure

J Phys Condens Matter. 2021 Oct 29;34(2). doi: 10.1088/1361-648X/ac2f6e.

Authors

Affiliations

¹ Departamento de Física Aplicada-ICMUV, Universidad de Valencia, Dr. Moliner 50, Burjassot, 46100 Valencia, Spain.
² Departamento de Física, Instituto de Materiales y Nanotecnología, Universidad de La Laguna, La Laguna 38200, Tenerife, Spain.
³ Grupo de Computación de Altas Prestaciones, Departamento de Ingeniería Informática y de Sistemas, Universidad de La Laguna, La Laguna 38200, Tenerife, Spain.
⁴ Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085, India.
⁵ Laboratorio Materiali Luminescenti, Dipartimento di Biotecnologie, Università di Verona, and INSTM, UdR Verona, Strada Le Grazie 15, 37134 Verona, Italy.

PMID: 34644692
DOI: 10.1088/1361-648X/ac2f6e

Abstract

Zircon-type NdVO₄and scheelite-type PrVO₄have 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 byab initiocalculations, which allowed us to discuss the role of mechanic and dynamical instabilities in the phase transition mechanisms.

Keywords: Raman; high pressure; scheelite; vanadates; zircon.