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Efficient self-consistent quantum transport simulator for quantum devices

机译:用于量子力学的高效自洽量子传输模拟器   设备

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摘要

We present a self-consistent one-dimensional (1D) quantum transport simulatorbased on the Contact Block Reduction (CBR) method, aiming for very fast androbust transport simulation of 1D quantum devices. Applying the general CBRapproach to 1D open systems results in a set of very simple equations that arederived and given in detail for the first time. The charge self-consistency ofthe coupled CBR-Poisson equations is achieved by using the predictor-correctoriteration scheme with the optional Anderson acceleration. In addition, weintroduce a new way to convert an equilibrium electrostatic barrier potentialcalculated from an external simulator to an effective doping profile, which isthen used by the CBR-Poisson code for transport simulation of the barrier undernon-zero biases. The code has been applied to simulate the quantum transport ina double barrier structure and across a tunnel barrier in a silicon doublequantum dot. Extremely fast self-consistent 1D simulations of the differentialconductance across a tunnel barrier in the quantum dot show better qualitativeagreement with experiment than non-self-consistent simulations.
机译:我们提出了一种基于接触块减少(CBR)方法的自洽一维(1D)量子传输模拟器,旨在对一维量子器件进行非常快速且鲁棒的传输仿真。将通用的CBR方法应用于一维开放系统会产生一组非常简单的方程式,这些方程式是首次得到并详细给出。耦合的CBR-泊松方程的电荷自洽性是通过使用带有可选的安德森加速度的预测器-校正器迭代方案来实现的。此外,我们引入了一种新方法,可将外部模拟器计算出的平衡静电势垒电势转换为有效掺杂分布,然后CBR-Poisson代码将其用于非零偏压下势垒的输运模拟。该代码已被应用于模拟双势垒结构中的量子传输,并跨过硅双量子点中的隧道势垒。与非自洽仿真相比,量子点中穿过隧道势垒的差分电导的极快自洽一维仿真显示出更好的定性实验结果。

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