Título
High-pressure characterization of multifunctional CrVO4
Autor
Pablo Botella Vives
SINHUE LOPEZ MORENO
Daniel Errandonea
Francisco Javier Manjon
Juan Angel Sans Tresserras
David Vie
Alberto Vomiero
Nivel de Acceso
Acceso Abierto
Identificador alterno
doi: https://doi.org/10.1088/1361-648X/ab9408
Materias
Resumen o descripción
"The structural stability and physical properties of CrVO(4)under compression were studied by x-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, andab initiocalculations up to 10 GPa. High-pressure x-ray diffraction and Raman measurements show that CrVO(4)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 proposed to be 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, are 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."
Editor
IOP Publishing
Fecha de publicación
2020
Tipo de publicación
Artículo
Versión de la publicación
Versión publicada
Recurso de información
Formato
application/pdf
Sugerencia de citación
P Botella et al 2020 J. Phys.: Condens. Matter 32 385403
Repositorio Orígen
Repositorio IPICYT
Descargas
192