In this work, a novel stishovite–aluminum alloy with chemical formula SiO₂–Al–SiO₂ is proposed. The structural, electronic and optical properties were obtained using GGA-PBE functional. The study of electronic properties of SiO₂–Al–SiO₂ shows that it has a bandgap energy at 22 meV, compared to a much wider energy gap inside stishovite. The band structure of SiO₂–Al–SiO₂ reported in this work indicates that the SiO₂–Al alloy proposed is found to be a semi-metal. Also, we report a reflectivity of 73% (2.53 eV) and 70% (7.97 eV), based on 8.36 nm of its total thickness. The strong optical absorption at 2.11 eV and 5.79 eV is suggesting the SiO₂–Al–SiO₂ can be used as both visible part (orange) sensing and the UV photodetectors. Thus, the SiO₂–Al alloy can have potential application in optoelectronic device fabrications.

中文翻译：

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SiO2-Al-SiO2 的电子和光学性质与密度泛函理论

_{在这项工作中，提出了一种化学式为 SiO 2} -Al-SiO ₂的新型 stishovite-铝合金。使用 GGA-PBE 泛函获得结构、电子和光学性质。_{对 SiO 2} –Al–SiO ₂的电子特性的研究表明，它的带隙能量为 22 meV，而石英石内部的能隙则要宽得多。在这项工作中报道的 SiO ₂ -Al-SiO ₂的能带结构表明，所提出的 SiO ₂ -Al 合金被发现是一种半金属。此外，我们报告了 73% (2.53 eV) 和 70% (7.97 eV) 的反射率，基于其总厚度的 8.36 nm。在 2.11 eV 和 5.79 eV 处的强光吸收表明 SiO ₂–Al–SiO ₂可用作可见光部分（橙色）传感和紫外光电探测器。因此，SiO ₂ -Al 合金在光电器件制造中具有潜在的应用价值。