arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1003.2630cond-mat.str-elcond-mat.mes-hall
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纳米系统的动力学顶点近似

Dynamical vertex approximation for nanoscopic systems

Angelo Valli, Giorgio Sangiovanni, Olle Gunnarsson, Alessandro Toschi, Karsten Held

摘要:

随着纳米级系统及其建模的复杂性的增加,需要新的理论工具来可靠地计算具有强电子相关性的复杂系统。为此,我们提出了一种新的方法,最近推出的动态顶点近似的基础上。我们已经在单粒子顶点上证明了它的可靠性(即,动力学平均场论)水平与精确解的比较。模拟量子点接触与110个原子,我们表明,接触成为绝缘之前已经进入隧道制度,由于局部莫特-哈伯德过渡发生在原子上,形成点接触。

英文摘要:

With an increasing complexity of nanoscopic systems and the modeling thereof, new theoretical tools are needed for a reliable calculation of complex systems with strong electronic correlations. To this end, we propose a new approach based on the recently introduced dynamical vertex approximation. We demonstrate its reliability already on the one-particle vertex (i.e., dynamical mean field theory) level by comparison with the exact solution. Modeling a quantum point contact with 110 atoms, we show that the contact becomes insulating already before entering the tunneling regime due to a local Mott-Hubbard transition occurring on the atoms which form the point contact.

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