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.
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