Search results for "CrVO"

showing 3 items of 3 documents

High-pressure characterization of multifunctional CrVO4

2020

[EN] 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 …

-typeoptical absorptionCondensed Matter - Materials Sciencehigh-pressureCrVOOther Physics TopicsHigh-pressureOptical absorption4Settore ING-IND/22 - Scienza e Tecnologia dei MaterialiMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciencesAnnan fysikCrVO4-typeX-ray diffractionx-ray diffractionRamanspectroscopyphase transitionFISICA APLICADARaman spectroscopyCrVO; 4; -type; high-pressure; optical absorption; phase transition; Raman spectroscopy; X-ray diffractionPhase transition
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New polymorph of InVO4: A high-pressure structure with six-coordinated vanadium

2013

A new wolframite-type polymorph of InVO4 is identified under compression near 7 GPa by in situ high-pressure (HP) X-ray diffraction (XRD) and Raman spectroscopic investigations on the stable orthorhombic InVO4. The structural transition is accompanied by a large volume collapse (Delta V/V = -14%) and a drastic increase in bulk modulus (from 69 to 168 GPa). Both techniques also show the existence of a third phase coexisting with the low- and high-pressure phases in a limited pressure range close to the transition pressure. XRD studies revealed a highly anisotropic compression in orthorhombic InVO4. In addition, the compressibility becomes nonlinear in the HP polymorph. The volume collapse in…

DiffractionVanadiumchemistry.chemical_elementOrtho-vanadatesInorganic Chemistrysymbols.namesakeThird phaseVisible-light irradiationFormsPhysical and Theoretical ChemistrySpectroscopySpectroscopyBulk modulusCRYSTALChemistryCRVO4TIVO4CrystallographyPhaseFISICA APLICADATransitionCompressibilitysymbolsOrthorhombic crystal systemRaman spectroscopyDiffraction
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Stability of FeVO4-II under Pressure: A First-Principles Study

2022

In this work, we report first-principles calculations to study FeVO4 in the CrVO4 -type (phase II) structure under pressure. Total-energy calculations were performed in order to analyze the structural parameters, the electronic, elastic, mechanical, and vibrational properties of FeVO4 -II up to 9.6 GPa for the first time. We found a good agreement in the structural parameters with the experimental results available in the literature. The electronic structure analysis was complemented with results obtained from the Laplacian of the charge density at the bond critical points within the Quantum Theory of Atoms in Molecules methodology. Our findings from the elastic, mechanic, and vibrational p…

Inorganic ChemistryFeVO<sub>4</sub> under pressure; CrVO<sub>4</sub>-type structure; first-principles; mechanical properties; vibrational properties; electronic propertiesGeneral Chemical EngineeringGeneral Materials ScienceQuímicaCondensed Matter PhysicsMaterialsCrystals
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