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High-pressure characterization of multifunctional CrVO4

dc.contributor.authorBotella Vives, Pablo
dc.contributor.authorLópez Moreno, Sinhué
dc.contributor.authorErrandonea, Daniel
dc.contributor.authorManjón, Francisco Javier
dc.contributor.authorSans Tresserras, Juan Angel
dc.contributor.authorVie, David
dc.contributor.authorVomiero, Alberto
dc.identifier.citationP Botella et al 2020 J. Phys.: Condens. Matter 32 385403
dc.description.abstract"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."
dc.publisherIOP Publishing
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional
dc.subjectPhase transition
dc.subjectX-ray diffraction
dc.subjectRaman spectroscopy
dc.subjectOptical absorption
dc.titleHigh-pressure characterization of multifunctional CrVO4
dc.rights.accessAcceso Abierto

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Attribution-NonCommercial-NoDerivatives 4.0 Internacional
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