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首页> 外文期刊>Physica Scripta: An International Journal for Experimental and Theoretical Physics >Engineering of the band gap and optical properties of InxGa1-x(As/Sb) via across composition alloying for solar cell applications using density functional theory-based approaches
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Engineering of the band gap and optical properties of InxGa1-x(As/Sb) via across composition alloying for solar cell applications using density functional theory-based approaches

机译：使用密度泛函理论基于基于密度的方法的太阳能电池应用的跨越组合物合金化合金化的带隙和光学性质的工程

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摘要

The optoelectronic properties of InxGa1-x(As/Sb) are analyzed using density functional theory by employing a modified potential scheme of Trans and Blaha as developed in WIEN2k code. The indium doping in GaAs and GaSb tune the band gap from 1.56 to 0.43 eV and 0.82 to 0.30 eV, respectively, which highlights their significance for solar cell related applications. The optical characteristics are assessed by studying the dielectric constant, refraction, absorption, optical conductivity and optical loss of light energy. The static dielectric constant related to the optical band gap through Penn's model and with static refractive index epsilon(1)(0) = n(2)(0) increase consistently between the calculated results. The maximum absorption and small optical loss factor for visible to near UV regions can enhance the optical efficiency for solar cell and optoelectronic applications. Moreover, higher optical conductivity within 3.5-4.5 eV allows forward current, which is attractive for practical applications.
机译：通过在Wien2K码中开发的改进的跨越式潜在方案，使用密度泛函理论分析Inxga1-x（AS / Sb）的光电性能。 GaAs和Gasb中的铟掺杂与1.56至0.43eV的带隙分别为0.82至0.30eV，突出了它们对太阳能电池相关应用的重要性。通过研究介电常数，折射，吸收，光导和光能的光学损失来评估光学特性。通过Penn模型和静态折射率epsilon（1）（0）= n（2）（0）之间的光带隙相关的静态介电常数与计算结果之间一致增加。接近UV区域可见的最大吸收和小型光学损耗因子可以提高太阳能电池和光电应用的光学效率。此外，3.5-4.5 EV内的较高的光学导电率允许正向电流，这对于实际应用具有吸引力。

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