Roel H. M. Smit

Measurement of the conductance of a hydrogen molecule

Recent years have shown steady progress towards molecular electronics, in which molecules form basic components such as switches, diodes and electronic mixers. Often, a scanning tunnelling microscope is used to address an individual molecule, although this arrangement does not provide long-term stability. Therefore, metal–molecule–metal links using break-junction devices have also been explored; however, it is difficult to establish unambiguously that a single molecule forms the contact. Here we show that a single hydrogen molecule can form a stable bridge between platinum electrodes. In contrast to results for organic molecules, the bridge has a nearly perfect conductance of one quantum unit, carried by a single channel. The hydrogen bridge represents a simple test system in which to understand fundamental transport properties of single-molecule devices.

Common origin for surface reconstruction and the formation of chains of metal atoms

During the fracture of nanocontacts gold spontaneously forms freely suspended chains of atoms, which is not observed for the isoelectronic noble metals Ag and Cu. Au also differs from Ag and Cu in forming reconstructions at its low-index surfaces. Using mechanically controllable break junctions we show that all the 5d metals that show similar reconstructions (Ir, Pt, and Au) also form chains of atoms, while both properties are absent in the 4d neighbor elements (Rh, Pd, and Ag), indicating a common origin for these two phenomena. A competition between s and d bonding is proposed as an explanation.

Observation of a Parity Oscillation in the Conductance of Atomic Wires

Using a scanning tunnel microscope or mechanically controllable break junctions atomic contacts for Au, Pt, and Ir are pulled to form chains of atoms. We have recorded traces of conductance during the pulling process and averaged these for a large number of contacts. An oscillatory evolution of conductance is observed during the formation of the monoatomic chain suggesting a dependence on the numbers of atoms forming the chain being even or odd. This behavior is not only observed for the monovalent metal Au, as was predicted, but is also found for the other chain-forming metals, suggesting it to be a universal feature of atomic wires.

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

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 Ramon y Cajal program, and the ESF through the EUROCORES SONS programme.

The high-bias stability of monatomic chains

For the metals Au, Pt and Ir it is possible to form freely suspended monatomic chains between bulk electrodes. The atomic chains sustain very large current densities, but finally fail at high bias. We investigate the breaking mechanism, that involves current-induced heating of the atomic wires and electromigration forces. We find good agreement of the observations for Au based on models due to Todorov and co-workers. The high-bias breaking of atomic chains for Pt can also be described by the models, although here the parameters have not been obtained independently. In the limit of long chains the breaking voltage decreases inversely proportional to the length.

Transition voltage spectroscopy and the nature of vacuum tunneling.

Transition voltage spectroscopy (TVS) has been proposed as a tool to analyze charge transport through molecular junctions. We extend TVS to Au-vacuum-Au junctions and study the distance dependence of the transition voltage V(t)(d) for clean electrodes in cryogenic vacuum. On the one hand, this allows us to provide an important reference for V(t)(d) measurements on molecular junctions. On the other hand, we show that TVS forms a simple and powerful test for vacuum tunneling models.

A nanoelectromechanical single-atom switch.

We have exploited the electromechanical properties of gated mechanical break junctions to form single-atom relays. The gate voltage can be used to reversibly switch between a monatomic contact with a conductance around 2e(2)/h and the tunneling regime. In tunneling, the source-drain conductance varies smoothly with gate voltage. The characteristics of the devices can be understood within a simple continuum model. It indicates that the elastic properties of the substrate facilitate the electromechanical tuning and that the details of the switching depend sensitively on the nanoscale geometry of the electrode tips.

Molecular signature of highly conductive metal-molecule-metal junctions

This work is part of the research program of the “Stichting FOM,” which is financially supported by NWO. O.T. acknowledges support from IUVSTA-Welch foundation and C.U. acknowledges support through Grant No. MAT2007-65487 and “Consolider” (Grant No. CSD2007-0010) of the Spanish MEC.

Conductance of single-atom platinum contacts: Voltage dependence of the conductance histogram

The conductance of a single-atom contact is sensitive to the coupling of this contact atom to the atoms in the leads. Notably for the transition metals this gives rise to a considerable spread in the observed conductance values. The mean conductance value and spread can be obtained from the first peak in conductance histograms recorded from a large set of contact-breaking cycles. In contrast to the monovalent metals, this mean value for Pt depends strongly on the applied voltage bias and other experimental conditions and values ranging from about 1

Spatially resolved electronic inhomogeneities of graphene due to subsurface charges

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