Charge transfer through molecular junctions with superconducting electrodes

由于电极的体积性质和单分子轨道之间的相关性，分子结之间的电荷转移超越了通常的固态物理和通常的量子化学。为了彻底了解电路和分子复合物的环境自由度，还必须考虑到。虽然已经有相当多的实验实现，主要是在室温下，理论描述往往只允许定性比较，由于缺乏对相关微观动力学的深入了解。这引发了新的实验设置，其中两个非常有前途的候选人分别利用自旋效应和超导电极的影响。在这里，我们计划解决与最近超导分子超导结实验相关的一些关键问题，即在振动背景下多重安德烈夫反射的作用，差分电导测量的子间隙结构中分子能级的特征，分子内自旋相互作用的影响，以及驱动诱导现象。

Charge transfer across molecular junctions goes beyond usual solid state physics as well as usual quantum chemistry due to correlations between bulk properties of the electrodes and single molecular orbitals. For a thorough understanding environmental degrees of freedom of the circuitry and of the molecular complex must be also taken into account. While there have been quite a number of experimental realizations, mainly at room temperature, theoretical descriptions often allow only for qualitative comparisons due to the lack of a deeper insight into the relevant microscopic dynamics. This has triggered new experimental set-ups, where two very promising candidates exploit the spin effects and the influence of superconducting electrodes, respectively. Here, we plan to address some key questions related to recent experiments with SMS (superconducting¿molecule¿superconducting) junctions, namely, the role of multiple Andreev reflections in presence of a vibronic background, signatures of the molecular energy levels in the subgap structure of differential conductance measurements, the impact of intramolecular spin interactions, and driving induced phenomena.