Quantum transport through STM-lifted single PTCDA molecules
Quantum transport through STM-lifted single PTCDA molecules
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DOI：
10.1007/s00339-008-4837-z
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发表时间：
2008-11-01
影响因子：
2.7
通讯作者：
Cuniberti, Gianaurelio
中科院分区：
文献类型：
--
作者：
Pump, Florian;Temirov, Ruslan;Cuniberti, Gianaurelio
利用扫描隧道显微镜测量了针尖-分子-表面结不同构型的PTCDA分子的量子电导。对于某些尖端到表面的距离，在费米能级上出现了一种特殊的电导共振。我们用Landauer/Keldysh方法松弛了分子结坐标，并计算了输运。对于不同针尖-衬底距离的横向固定针尖位置的零偏压透过率的计算表明，随着STM-表面距离的增加，分子的化学吸附能级发生了明显的移动和锐化，这与实验结果一致。
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.