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Particle size effects on structural and optical properties of BaF2 nanoparticles

机译：粒径对BaF 2 纳米粒子结构和光学性质的影响

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Barium fluoride (BaF2) nanoparticles (NPs) with different sizes were produced through a hydrothermal microwave method (HTMW). The microstructural and electronic properties of the synthesized BaF2 NPs were investigated using X-ray powder diffraction combined with the Rietveld refinement method and Williamson–Hall formalism, X-ray photoemission spectroscopy (XPS) and scanning electron microscopy (SEM). From the Rietveld method, we have found that the lattice parameter of BaF2 NPs is smaller than that observed for BaF2 in its crystal bulk form. These results demonstrated that the lattice parameter shows dependence on size of particle, increasing for larger particles, reducing strain-surface effects. XPS analyses showed that no other elements were present in the material. Photoluminescence (PL) studies in the vacuum ultraviolet (VUV) and visible (VIS) range were also performed to investigate the luminescence properties. The PL results showed a slight shift in the self-trapped exciton (STE) edge for samples with higher particle sizes. In addition, the band gap energy (Eg) was found to be around 10.5 eV for all samples. The observed lattice contraction/expansion was in concordance with the bond-order-length strength (BOLS) correlation mechanism. Therefore, we concluded that this behavior was purely due to surface stress as a result of particle size decreasing.
机译：通过水热微波法制备了不同尺寸的氟化钡（BaF 2 ）纳米颗粒（NPs）。利用X射线粉末衍射，Rietveld精细化方法，Williamson-Hall形式主义，X射线光电子能谱，研究了合成的BaF 2 纳米粒子的微观结构和电子性能。 （XPS）和扫描电子显微镜（SEM）。通过Rietveld方法，我们发现BaF 2 NP的晶格参数小于BaF 2 的晶格参数。小>呈晶体状。这些结果证明，晶格参数显示出对颗粒尺寸的依赖性，对于较大的颗粒而言，晶格参数增加，减小了应变表面效应。 XPS分析表明材料中不存在其他元素。还进行了真空紫外（VUV）和可见光（VIS）范围内的光致发光（PL）研究，以研究其发光特性。 PL结果显示，对于粒径较大的样品，自陷激子（STE）边缘略有偏移。此外，发现所有样品的带隙能量（ E g ）约为10.5 eV。观察到的晶格收缩/膨胀与键序-长度-强度（BOLS）相关机制一致。因此，我们得出结论，这种行为纯粹是由于粒径减小导致的表面应力。

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