In this paper, a detailed analysis of the electronic structure of four‐electron quantum dots is performed with finite confinement potential by a modified variational optimization approach based mainly on the quantum genetic algorithm and the Hartree‐Fock‐Roothaan method. For the ground and higher excited configurations, our analysis covers a range of parameters like the average energies of ground and excited states, singlet and triplet state energies, orbital energies, and two‐electron Coulomb and exchange interaction energies. One‐electron kinetic energy, the Coulomb potential energy between electrons and impurity, the confinement potential energy for the electrons, and the probability of finding an electron inside or outside the quantum well are also studied. The results demonstrate that both spatial confinement and the height of the potential barrier have a pronounced effect on all energies in the strong and intermediate confinement regions, but this influence weakens significantly in large dot radii. The most substantial difference between singlet and triplet energies occurs in the 1s22s2p configurations, with this difference decreasing in higher configurations. Significant increases in the 1s and 2s orbital energies are observed at the dot radii where the 2p, 3d, and 4f electrons from the outermost orbit begin to penetrate the well.

中文翻译：

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具有四个电子的 GaAs/AlxGa1‐xAs 量子点中的电子结构研究


在本文中，通过主要基于量子遗传算法和 Hartree-Fock-Roothaan 方法的改进变分优化方法，对有限约束势的四电子量子点的电子结构进行了详细分析。对于基态和高激发构型，我们的分析涵盖了一系列参数，如基态和激发态的平均能量、单重态和三重态能量、轨道能量以及双电子库仑和交换相互作用能。还研究了单电子动能、电子和杂质之间的库仑势能、电子的约束势能以及在量子阱内部或外部找到电子的概率。结果表明，空间限制和势垒高度对强和中等限制区域的所有能量都有显着影响，但在大点半径中这种影响显着减弱。单重态和三重态能量之间最大的差异发生在 1s22s2p 构型中，这种差异在更高的构型中会减小。在点半径处观察到 1s 和 2s 轨道能量的显着增加，其中来自最外层轨道的 2p、3d 和 4f 电子开始穿透阱。