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RESEARCH PRODUCT
High-pressure characterization of multifunctional CrVO4
P. BotellaS. López-morenoD. ErrandoneaFrancisco-javier ManjónJuan ÁNgel Sans-tresserrasD. VieA. Vomierosubject
-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 transitiondescription
[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 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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-04-17 |