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<p>This study presents a theoretical model for CdSe/ZnSe core-shell quantum dots that combines machine learning, coordinate transformation, and the finite difference method. The XGBoost (eXtreme Gradient Boosting) algorithm is employed to identify the dominant parameters that control core positioning within the model. We then investigate the optoelectronic properties of concentric and non-concentric nanostructures, analyzing the influence of core size and incident optical intensity <i>I</i>. The results demonstrate that key properties such as energy levels, inter-subband transitions, oscillator strengths, absorption coefficients, and refractive index changes can be tuned across the mid-infrared spectrum. This tunability is achieved through two complementary mechanisms: quantum confinement via core size and geometric control via structural symmetry. The findings demonstrate the utility of non-concentricity as a design parameter for tailoring the optoelectronic response of core-shell quantum dots.</p>

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Machine learning-assisted modeling of optical properties in concentric and non-concentric CdSe/ZnSe core-shell quantum dots

  • 期刊论文

  • 发表日期：

    2026年3月9日

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  • Ibrahim Khalil Chiba,
  • Safa Maamria,
  • Adel Bouazra,
  • Moncef Said

摘要

This study presents a theoretical model for CdSe/ZnSe core-shell quantum dots that combines machine learning, coordinate transformation, and the finite difference method. The XGBoost (eXtreme Gradient Boosting) algorithm is employed to identify the dominant parameters that control core positioning within the model. We then investigate the optoelectronic properties of concentric and non-concentric nanostructures, analyzing the influence of core size and incident optical intensity I. The results demonstrate that key properties such as energy levels, inter-subband transitions, oscillator strengths, absorption coefficients, and refractive index changes can be tuned across the mid-infrared spectrum. This tunability is achieved through two complementary mechanisms: quantum confinement via core size and geometric control via structural symmetry. The findings demonstrate the utility of non-concentricity as a design parameter for tailoring the optoelectronic response of core-shell quantum dots.