具有四个电子的 GaAs/AlxGa1-xAs 量子点的电子结构研究

IF 2.9 4区 工程技术 Q1 MULTIDISCIPLINARY SCIENCES
Bekir Çakır, Yusuf Yakar, Ayhan Özmen
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引用次数: 0

摘要

本文主要基于量子遗传算法和哈特里-福克-鲁尚方法,通过改进的变分优化方法,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。对于基态和高激发态,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、单线态和三线态能量、轨道能量以及双电子库仑和交换相互作用能量。此外,还研究了单电子动能、电子与杂质之间的库仑势能、电子的约束势能以及在量子井内部或外部发现电子的概率。结果表明,空间禁锢和势垒高度对强禁锢区和中间禁锢区的所有能量都有明显影响,但这种影响在点半径较大时会明显减弱。在 1s22s2p 构型中,单重态能量和三重态能量之间的差异最大,而在较高的构型中,这种差异会逐渐减小。在最外层轨道的 2p、3d 和 4f 电子开始穿透井的点半径处,可以观察到 1s 和 2s 轨道能量的显著增加。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Investigation of the Electronic Structure in GaAs/AlxGa1-xAs Quantum Dots with Four Electrons

Investigation of the Electronic Structure in GaAs/AlxGa1-xAs Quantum Dots with Four Electrons
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.
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来源期刊
Advanced Theory and Simulations
Advanced Theory and Simulations Multidisciplinary-Multidisciplinary
CiteScore
5.50
自引率
3.00%
发文量
221
期刊介绍: Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics
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