Defects and impurities within semiconductor materials pose significant challenges. This investigation scrutinizes the response of a single dopant donor impurity located in nanostructured semiconductors, specifically quantum wells subjected to both harmonic and inharmonic confinement potentials. The primary focus of this inquiry centers on the analysis of binding energy, electron probability distribution, and diamagnetic susceptibility in connection with both the ground (1s) and excited (2p) electron states. Utilizing advanced computational techniques, specifically the Finite Elements Method (FEM) implemented through Python code, this study unveils a marked alteration in the interaction between electrons and impurities when exposed to external fields. Significantly, the characteristics of the confinement potential exert a substantial influence on the explored physical parameters. This research significantly advances our understanding of the interaction between impurities and intense fields, offering valuable insights into solid-state phenomena within low-dimensional systems. Consequently, it contributes to the design and fabrication of next-generation applications in the field of quantum well systems, encompassing areas such as lighting, detection, information processing, sensing, and energy conversion.

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This paper presents a thorough numerical investigation focused on optimizing the efficiency of quantum-well intermediate-band solar cells (QW-IBSCs) based on III-nitride materials. The optimization strategy encompasses manipulating confinement potential energy, controlling hydrostatic pressure, adjusting compositions, and varying thickness. The built-in electric fields in (In, Ga)N alloys and heavy-hole levels are considered to enhance the results’ accuracy. The finite element method (FEM) and Python 3.8 are employed to numerically solve the Schrödinger equation within the effective mass theory framework. This study reveals that meticulous design can achieve a theoretical photovoltaic efficiency of quantum-well intermediate-band solar cells (QW-IBSCs) that surpasses the Shockley–Queisser limit. Moreover, reducing the thickness of the layers enhances the light-absorbing capacity and, therefore, contributes to efficiency improvement. Additionally, the shape of the confinement potential significantly influences the device’s performance. This work is critical for society, as it represents a significant advancement in sustainable energy solutions, holding the promise of enhancing both the efficiency and accessibility of solar power generation. Consequently, this research stands at the forefront of innovation, offering a tangible and impactful contribution toward a greener and more sustainable energy future.@en