High-pressure characterization of multifunctional CrVO4

Botella, Pablo, PhD Student (author): Luleå tekniska universitet,Materialvetenskap

López Moreno, Sinhué (author): Materiales Avanzados, Instituto Potosino de Investigacion Cientifica y Tecnologica AC, Camino a la presa de San Jose 2055, San Luis Potosi, San Luis Potosí, 78216, MEXICO

Errandonea, Daniel (author): Department of Applied Physics, Universidad de Valencia, Dr Moliner 50, Bursasot (46100), Valencia, Burjassot, SPAIN

Manjon Herrera, Francisco Javier (author): Departamento de Fisica Aplicada, Universitat Politecnica de Valencia, Escuela Tecnica Superior de Ingenieria del Disenyo, Cno.de Vera s/n, Valencia, Valencia, 46022, SPAIN

Sans, Juan Ángel (author): Universitat Politecnica de Valencia, Departamento de Fisica Aplicada Escuela Tecnica Superior de Ingenieria del Disenyo Cno.de Vera s/n Valencia, Valencia, ES 46022 00-96-387-70-00 ex. 75255, Valencia, SPAIN

Vie, David (author): Universitat de Valencia Instituto de Ciencia de los Materiales, Paterna, Comunitat Valenciana, SPAIN

(creator_code:org_t)

Institute of Physics (IOP), 2020
2020
English.
In: Journal of Physics. - : Institute of Physics (IOP). - 0953-8984 .- 1361-648X. ; 32:38

Related links:: https://doi.org/10.1...; show more...; https://arxiv.org/ab...; https://ltu.diva-por... (primary) (Raw object); https://urn.kb.se/re...; https://doi.org/10.1...; show less...

Abstract Subject headings

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.

By the author/editor: Botella, Pablo, ...; López Moreno, Si ...; Errandonea, Dani ...; Manjon Herrera, ...; Sans, Juan Ángel; Vie, David; show more...; Vomiero, Alberto; show less...

About the subject

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