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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.date.accessioned2021-04-26T19:14:02Z
dc.date.available2021-04-26T19:14:02Z
dc.date.issued2020
dc.identifier.citationP Botella et al 2020 J. Phys.: Condens. Matter 32 385403
dc.identifier.urihttp://hdl.handle.net/11627/5586
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.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectCrVO4-type
dc.subjectHigh-pressure
dc.subjectPhase transition
dc.subjectX-ray diffraction
dc.subjectRaman spectroscopy
dc.subjectOptical absorption
dc.subject.classificationFÍSICA
dc.titleHigh-pressure characterization of multifunctional CrVO4
dc.typearticle
dc.identifier.doihttps://doi.org/10.1088/1361-648X/ab9408
dc.rights.accessAcceso Abierto


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