The structural evolution of metavanadate compounds under high pressure offers valuable insights into phase transitions and changes in material properties. This study explores the structural behavior of BaVO under pressures up to 12 GPa using powder X-ray diffraction and density-functional theory (DFT) simulations. The results indicate a phase transition from the ambient pressure orthorhombic phase (space group 222) to a monoclinic phase (space group 2) at 4 GPa, likely driven by the distortion of the vanadium oxide polyhedron.
View Article and Find Full Text PDFJ Phys Chem C Nanomater Interfaces
August 2023
We report diffuse reflectivity measurements in InNbO, ScNbO, YNbO, and eight rare-earth niobates. A comparison with established values of the bandgap of InNbO and ScNbO shows that Tauc plot analysis gives erroneous estimates of the bandgap energy. Conversely, accurate results are obtained considering excitonic contributions using the Elliot-Toyozawa model.
View Article and Find Full Text PDFThe structural stability and physical properties of CrVOunder compression were studied by x-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, andcalculations up to 10 GPa. High-pressure x-ray diffraction and Raman measurements show that CrVOundergoes a phase transition from the ambient pressure orthorhombic CrVO-type structure (Cmcm space group, phase III) to the high-pressure monoclinic CrVO-V phase, which is proposed to be isomorphic to the wolframite structure. Such a phase transition (CrVO-type → wolframite), driven by pressure, also was previously observed in indium vanadate.
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