通过扫描隧道显微镜（STM）抬起的单个PTCDA分子的量子输运
Quantum transport through STM-lifted single PTCDA molecules
AI总结：
本研究通过扫描隧道显微镜测量单个PTCDA分子的量子电导，结合Landauer/Keldysh方法计算输运性质，揭示了STM-表面间距对分子化学吸附能级的调控规律，实验与计算结果吻合。
摘要：
我们利用扫描隧道显微镜，针对针尖-分子-表面结的不同构型，测量了单个PTCDA分子的量子电导。在特定的针尖-表面间距下，费米能级处会出现特殊的电导共振峰。我们对分子结的坐标进行了弛豫，并采用Landauer/Keldysh方法计算了输运性质。在固定针尖横向位置、改变针尖-衬底间距的条件下计算得到的零偏压透射谱显示，随着STM-表面间距增大，分子化学吸附能级发生明显移动且峰形变锐，计算结果与实验一致。
英文摘要：
Using a scanning tunneling microscope we have measured the quantum conductance through a PTCDA molecule for different configurations of the tip-molecule-surface junction. A peculiar conductance resonance arises at the Fermi level for certain tip to surface distances. We have relaxed the molecular junction coordinates and calculated transport by means of the Landauer/Keldysh approach. The zero bias transmission calculated for fixed tip positions in lateral dimensions but different tip substrate distances show a clear shift and sharpening of the molecular chemisorption level on increasing the STM-surface distance, in agreement with experiment.
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