Stretching dependence of the vibration modes of a single-molecule Pt-H2-Pt bridge

A conducting bridge of a single hydrogen molecule between Pt electrodes is formed in a break junction experiment. It has a conductance near the quantum unit, G0=2e2∕h, carried by a single channel. Using point-contact spectroscopy three vibration modes are observed and their variation upon isotope substitution is obtained. The stretching dependence for each of the modes allows uniquely classifying them as longitudinal or transversal modes. The interpretation of the experiment in terms of a Pt-H2-Pt bridge is verified by density-functional theory calculations for the stability, vibrational modes, and conductance of the structure.

This work was supported by the Dutch “Stichting FOM,” the Danish Center for Scientific Computing through Grant No. HDW-1101-05, the Spanish MCyT under Contract No. MAT-003-08109-C02-01 and the Ramón y Cajal program, and the ESF through the EUROCORES SONS programme.