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Electron-Electron Interactions in Isolated and Realistic Quantum Dots: A Density Functional Theory Study

机译:孤立和现实量子点中的电子 - 电子相互作用:a   密度泛函理论研究

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摘要

We use Kohn-Sham spin-density-functional theory to study the statistics ofground-state spin and the spacing between conductance peaks in the Coulombblockade regime for both 2D isolated and realistic quantum dots. We make asystematic investigation of the effects of electron-electron interactionstrength and electron number on both the peak spacing and spin distributions. Adirect comparison between the distributions from isolated and realistic dotsshows that, despite the difference in the boundary conditions and confiningpotential, the statistical properties are qualitatively the same. Strongeven/odd pairing in the peak spacing distribution is observed only in the weake-e interaction regime and vanishes for moderate interactions. The probabilityof high spin ground states increases for stronger e-e interaction and seems tosaturate around $r_s \sim 4$. The saturated value is larger than previoustheoretical predictions. Both spin and conductance peak spacing distributionsshow substantial variation as the electron number increases, not saturatinguntil $N \sim 150$. To interpret our numerical results, we analyze the spindistribution in the even $N$ case using a simple two-level model.
机译:我们使用Kohn-Sham自旋密度泛函理论来研究二维孤立量子点和现实量子点的库仑阻断状态下的基态自旋和电导峰之间的间距的统计数据。我们对电子-电子相互作用强度和电子数对峰间距和自旋分布的影响进行了系统的研究。从孤立点和现实点的分布之间进行的直接比较表明,尽管边界条件和约束电位有所不同,但统计性质在质量上是相同的。仅在弱-e相互作用体系中观察到峰间距分布中的强/奇对,而对于中等相互作用则消失。高自旋基态的概率随着e-e相互作用的增强而增加,并且似乎在$ r_s \ sim 4 $附近饱和。饱和值大于以前的理论预测。自旋和电导的峰间距分布都显示出随着电子数的增加而发生很大的变化,直到$ N \ sim 150 $才饱和。为了解释我们的数值结果,我们使用简单的两级模型分析了偶数$ N $情况下的自旋分布。

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