Atomic Motion in Single H₂ and D₂ Molecule Junction Induced by Phonon Excitation

We have investigated Au atomic contacts in H$_{2}$ and D$_{2}$ environment by conductance measurement and $dI/dV$ spectroscopy. A single H$_{2}$ or D$_{2}$ molecule was found to bridge Au electrodes. In the case of the Au/H$_{2}$/Au junction, symmetric peaks were observed in $dI/dV$ spectra, while they were not observed for the Au/D$_{2}$/Au junction. The shape of the peaks in $dI/dV$ spectra originated from the structural change of the single molecule junction induced by the phonon excitation. The structural change could occur only for the Au/H$_{2}$/Au junction. The difference in the two single molecule junctions could be explained by larger zero point energy of Au-H$_{2}$ vibration mode than that in the Au/H$_{2}$/Au junction.