Department of Physics, Ohio State University, Columbus, Ohio 43210, USA.
Nano Lett. 2010 Oct 13;10(10):4175-80. doi: 10.1021/nl1024563.
Single tetracyanoethyelene (TCNE) molecules on Cu(111) are reversibly switched among five states by applying voltage pulses with the tip of a scanning tunneling microscope. A pronounced Kondo resonance in tunneling spectroscopy indicates that one of the states is magnetic. Side bands of the Kondo resonance appear at energies which correspond to inter- and intramolecular vibrational modes. Density functional theory suggests that molecular deformation changes the occupancy in TCNE's molecular orbitals, thus producing the magnetic state.
单分子的四氰乙烯（TCNE）在铜（111）表面通过扫描隧道显微镜的针尖施加电压脉冲可以在五种状态之间可逆转换。隧道谱中的一个显著的近藤共振表明其中一个状态是磁性的。近藤共振的边带出现在与分子内和分子间振动模式对应的能量处。密度泛函理论表明，分子变形改变了 TCNE 分子轨道中的占据数，从而产生了磁性状态。
