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High-pressure characterization of multifunctional CrVO4

DOI: 10.1088/1361-648X/ab9408 DOI Help

Authors: Pablo Botella (Luleå University of Technology) , Sinhué López Moreno (Instituto Potosino de Investigacion Cientifica y Tecnologica AC) , Daniel Errandonea (Universidad de Valencia) , Francisco Javier Manjon Herrera (Universitat Politècnica de València) , Juan Angel Sans (Universitat Politecnica de Valencia) , David Vie (Universitat de Valencia Instituto de Ciencia de los Materiales) , Alberto Vomiero (Luleå University of Technology)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Physics: Condensed Matter

State: Published (Approved)
Published: May 2020
Diamond Proposal Number(s): 683

Open Access Open Access

Abstract: The structural stability and physical properties of CrVO4 under compression were studied by X-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, and ab initio calculations up to 10 GPa. High-pressure X-ray diffraction and Raman measurements show that CrVO4 undergoes a phase transition from the ambient pressure orthorhombic CrVO4-type structure (Cmcm space group, phase III) to the high-pressure monoclinic CrVO4-V phase, which is isomorphic to the wolframite structure. Such a phase transition (CrVO4-type  wolframite), driven by pressure, also was previously observed in indium vanadate. The crystal structure of both phases and the pressure dependence in unit-cell parameters, Raman-active modes, resistivity, and electronic band gap, is reported. Vanadium atoms are sixth-fold coordinated in the wolframite phase, which is related to the collapse in the volume at the phase transition. Besides, we also observed drastic changes in the phonon spectrum, a drop of the band-gap, and a sharp decrease of resistivity. All the observed phenomena are explained with the help of first-principles calculations.

Subject Areas: Physics

Instruments: I15-Extreme Conditions