Ameen Tarek A, Ilatikhameneh Hesameddin, Tankasala Archana, Hsueh Yuling, Charles James, Fonseca Jim, Povolotskyi Michael, Kim Jun Oh, Krishna Sanjay, Allen Monica S, Allen Jeffery W, Rahman Rajib, Klimeck Gerhard
Network for Computational Nanotechnology, Department of Electrical and Computer Engineering, Purdue University, West Lafayette, IN 47907, USA.
Korean Research Institute of Standards and Sciences, Daejeon 34113, South Korea.
Beilstein J Nanotechnol. 2018 Apr 4;9:1075-1084. doi: 10.3762/bjnano.9.99. eCollection 2018.
A detailed theoretical study of the optical absorption in doped self-assembled quantum dots is presented. A rigorous atomistic strain model as well as a sophisticated 20-band tight-binding model are used to ensure accurate prediction of the single particle states in these devices. We also show that for doped quantum dots, many-particle configuration interaction is also critical to accurately capture the optical transitions of the system. The sophisticated models presented in this work reproduce the experimental results for both undoped and doped quantum dot systems. The effects of alloy mole fraction of the strain controlling layer and quantum dot dimensions are discussed. Increasing the mole fraction of the strain controlling layer leads to a lower energy gap and a larger absorption wavelength. Surprisingly, the absorption wavelength is highly sensitive to the changes in the diameter, but almost insensitive to the changes in dot height. This behavior is explained by a detailed sensitivity analysis of different factors affecting the optical transition energy.
本文对掺杂自组装量子点中的光吸收进行了详细的理论研究。采用了严格的原子应变模型以及复杂的20带紧束缚模型,以确保准确预测这些器件中的单粒子态。我们还表明,对于掺杂量子点,多粒子组态相互作用对于准确捕捉系统的光学跃迁也至关重要。本文提出的复杂模型再现了未掺杂和掺杂量子点系统的实验结果。讨论了应变控制层的合金摩尔分数和量子点尺寸的影响。增加应变控制层的摩尔分数会导致能隙降低和吸收波长增大。令人惊讶的是,吸收波长对直径的变化高度敏感,但对量子点高度的变化几乎不敏感。通过对影响光学跃迁能量的不同因素进行详细的灵敏度分析来解释这种行为。