Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871, China.
Chem Commun (Camb). 2018 Aug 14;54(66):9135-9138. doi: 10.1039/c8cc02994f.
Tuning the spin-dependent electron transport through molecules is of fundamental importance in single-molecule spintronics. Here, the transport properties of iron phthalocyanine on Au(111) was investigated by a combination of scanning tunneling microscopy and density functional theory calculations. Using high-resolution scanning tunneling spectroscopy performed at 0.5 K, a Kondo resonance was observed on FePc. After removing its eight outermost hydrogen atoms, the spectroscopic feature changed into a double-step structure, which reflected inelastic transitions of molecular spin states. The density functional theory calculations revealed that the coupling between Fe and Au(111) became much weaker after cutting the hydrogen atoms. This explained the change of the spin-related fingerprints in the differential spectra.
通过分子来调节自旋相关的电子输运在单分子自旋电子学中具有重要意义。在这里，通过扫描隧道显微镜和密度泛函理论计算的结合，研究了铁酞菁在 Au(111)上的输运性质。在 0.5 K 下进行的高分辨率扫描隧道光谱学测量中，在 FePc 上观察到了一个 Kondo 共振。在去除其最外层的 8 个氢原子后，光谱特征变成了双峰结构，反映了分子自旋态的非弹性跃迁。密度泛函理论计算表明，在切割氢原子后，Fe 与 Au(111)之间的耦合变得弱得多。这解释了差分谱中自旋相关指纹的变化。
