We investigated a nanostructured composite of α-BiO/NiBi, which was synthesized through high-energy milling, under high-pressure conditions of up to 30 GPa. To track its structural changes, we employed 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.

中文翻译：

---

合成 α-Bi2O3/NiBi3 纳米结构复合材料的高压研究：原位同步加速器 XRD 测量、DFT 计算和 PDF 方法

我们研究了 α-Bi2O/NiBi 纳米结构复合材料，该复合材料是在高达 30 GPa 的高压条件下通过高能研磨合成的。为了追踪其结构变化，我们采用同步加速器角色散 X 射线衍射测量与密度泛函理论计算相结合。使用 Rietveld 方法和 DFT 计算得出晶体学信息。此外，我们使用对分布函数检查了化学短程有序，并通过 Birch-Murnaghan 状态方程确定了压缩性参数。