Abstract In this paper, we investigated behavior of energy gap and refractive index of (GaP)m/(AlP)n superlattices structure (SLS) grown on GaP (100) substrate in terms of GaP and AlP thicknesses. For this purpose, we used the empirical tight-binding method (ETBM) with sp3s∗ approximation and considering first nearest neighbor and spin-orbit interactions. Since in this method, predicting 15 parameters in individual balk Hamiltonian matrix is very important, we used genetic algorithm to obtain a new set of parameters that can accurately predict the superlattice structures energy gaps with about 1.2% deviation from the experimental data points. we used these parameters and also considered stress, strain and energy band lineups for this SLS to simulate the energy gap and refractive index for a range of GaP and AlP thicknesses.

中文翻译：

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使用经验紧束缚方法对 (GaP)m/(AlP)n 超晶格进行建模

摘要 在本文中，我们研究了生长在 GaP (100) 衬底上的 (GaP)m/(AlP)n 超晶格结构 (SLS) 在 GaP 和 AlP 厚度方面的能隙和折射率行为。为此，我们使用了具有 sp3s∗ 近似值的经验紧束缚方法 (ETBM)，并考虑了第一最近邻和自旋轨道相互作用。由于在该方法中预测单个巴克哈密顿矩阵中的 15 个参数非常重要，因此我们使用遗传算法获得了一组新的参数，可以准确预测超晶格结构的能隙，与实验数据点的偏差约为 1.2%。我们使用这些参数并考虑了该 SLS 的应力、应变和能带阵容，以模拟一系列 GaP 和 AlP 厚度的能隙和折射率。