高效光电器件中氮层化GaAs-δ:第一性原理预测

N. Madini, K. Rahmoun, M. Côté
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引用次数: 0

摘要

阿尔及利亚强烈的太阳辐射和干旱地区应该成为升级环保能源替代品和促进气候变化的一个有前途的问题。为此,我们提出在密度泛函理论框架下,对有前途的GaAsN合金在三角洲层构型下的结构和电子体性能进行第一性原理研究。通过仿真来估计这种量子设计在光电和高效光伏应用中的充分性。我们特别预测了x=1/n时δ层状GanAs1-nN1晶格常数在0<;x≤1范围内的演化。我们的方法在母体二元GaAs和GaN的实验数据中显示出良好的结构性质和电子结构一致性。计算表明,GaAsN应该与光伏技术(如GaAs、GaAlAs、Ge和Si)所需的全部半导体晶格相匹配。此外,电子结构和所选浓度x=1/10的带隙计算表明,GaAsN的δ层设计可以成为专用于光纤传输的电信设备的一个有趣的问题,并且通过加入适合最强烈太阳光谱的带隙能量,它应该是高效太阳能电池功率转换的良好吸收材料。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
GaAs-δ layered within nitrogen for high efficiency photovoltaic devices: First principle prediction
Intense solar radiation and arid region in Algeria should be a promising issue to upgrade eco-friendly energy source alternative and promote climate change lute. For this purpose, we propose first principle investigation of the structural and the electronic bulk properties of the promising GaAsN alloy in delta-layer configuration within the aid of density functional theory framework. The simulation has been done to estimate the adequacy of this quantum design for optoelectronic and high efficiency photovoltaic applications. We particularly predict the evolution of the δ-layered GanAs1-nN1 lattice constant for x=1/n in the range of 0<;x≤1. Our approach exhibits excellent concordance in structural properties and electronic structure within the experimental data for the parent binaries GaAs and GaN. The calculations show that GaAsN should be lattice matched to panoply of solicited semi-conductors for photovoltaic technologies such as GaAs, GaAlAs, Ge and Si. Moreover, the electronic structure and the band gap calculation of the chosen concentration x=1/10 predict that delta-layer design of GaAsN could be an interesting issue for telecommunication devices dedicated to transmission over optical fiber and it should be good absorber material for high efficiency solar cells power conversion by joining a band gap energies suitable with the most intense solar spectrum.
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