High-pressure Study of Synthesized Α-Bi2o3/nibi3 Nanostructured Composite: In-situ Synchrotron XRD Measurements, DFT Calculations and PDF Approach

We investigated a nanostructured composite of alpha-Bi2O3/NiBi3, which was synthesized through high-energy milling, under high-pressure conditions of up to 30 GPa. To track its structural changes, we employed in-situ synchrotron angle-dispersive X-ray diffraction measurements in conjunction with density functional theory calculations. Crystallographic information was derived using the Rietveld method and DFT computations. Additionally, we examined the chemical short-range order using pair distribution functions and determined the compressibility parameters through the Birch-Murnaghan equation of state. We explored the high-pressure behavior of a nanostructured composite of alpha-Bi2O3/NiBi3, applying pressures up to 30 GPa. The composite sample, synthesized by mechanical alloying, underwent thorough structural characterization by X-ray diffraction, high-resolution transmission electron microscopy and Raman spectroscopy. The sample's response to applied pressure was studied by analyzing crystallographic data obtained from in-situ synchrotron angle-dispersive X-ray diffraction measurements and density functional theory calculations. Crystallographic information from experiments was refined using the Rietveld method. Additionally, chemical shortrange order was examined using pair distribution functions, and compressibility parameters were determined via the Birch-Murnaghan equation of state. This investigation into the high-pressure behavior of NiBi3 provides valuable insights for future studies and potential applications of similar materials in extreme pressure environments.