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用于红外光谱的量子点结构吸收系数的优化。

Optimization of absorption coefficient of quantum dot structures for infrared spectroscopy.

作者信息

Dakroury Sameh A, Wafa Mohamed I, El-Batawy Yasser M, Ali Nouran M

机构信息

Department of Engineering Math and Physics, Faculty of Engineering, Cairo University, Giza, 12613, Egypt.

Nanoelectronics Integrated Systems Center, Nile University, Giza, 12588, Egypt.

出版信息

Sci Rep. 2025 Sep 18;15(1):32605. doi: 10.1038/s41598-025-19607-1.

Abstract

Infrared spectroscopy is a powerful tool used in chemical analysis and identification, material and polymer characteristics, pharmaceuticals and medical diagnostics, food industry, and environmental applications. Quantum Dots have shown significant potential as a top candidate for infrared photodetection of the transmitted and absorbed frequencies which is one of the main processes in IR spectroscopy. Therefore, the demand for accurate optimization techniques for enhanced detection is critically needed. In this work, we have developed an optimization study of the optical absorption coefficient of InAs/GaAs self-assembled quantum dots for IR photodetection specially in fingerprint region, where the Bound-to-bound absorption coefficient calculations are based on the bounded states estimation using the effective mass Hamiltonian diagonalization. Then, optimization has been performed which is based on the Nelder-Mead simplex algorithm where the objective function is maximizing the optical absorption coefficient at certain wavenumbers of interest of 600 and 800 cm. Also, the optimized absorption has been compared with previously published results for different dot shapes; semi-spherical, conical and truncated conical dots, showing a considerable enhancement of the optical absorption coefficient at the wavelengths of interest. A 5% sensitivity analysis has been performed for each QD cell parameters to study the effects of tolerances around the optimized design parameters. The presented optimization approach is generic that can be applied for different wavelengths, different QD structures, and different QD and barrier materials.

摘要

红外光谱是一种强大的工具,用于化学分析与鉴定、材料和聚合物特性研究、制药与医学诊断、食品工业以及环境应用。量子点已显示出作为红外光检测透射和吸收频率的顶级候选材料的巨大潜力,而这是红外光谱中的主要过程之一。因此,迫切需要用于增强检测的精确优化技术。在这项工作中,我们针对用于红外光检测的InAs/GaAs自组装量子点的光学吸收系数开展了一项优化研究,特别是在指纹区,其中束缚到束缚吸收系数的计算基于使用有效质量哈密顿量对角化的束缚态估计。然后,基于Nelder-Mead单纯形算法进行了优化,目标函数是在600和800 cm等特定感兴趣波数下最大化光学吸收系数。此外,还将优化后的吸收与先前发表的不同点形状(半球形、锥形和截锥形点)的结果进行了比较,结果表明在感兴趣波长处光学吸收系数有显著提高。对每个量子点单元参数进行了5%的灵敏度分析,以研究优化设计参数周围的公差影响。所提出的优化方法具有通用性,可应用于不同波长、不同量子点结构以及不同的量子点和势垒材料。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4fe/12446466/4b679bc4dbee/41598_2025_19607_Fig1_HTML.jpg

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