Effect of bonding of a CO molecule on the conductance of atomic metal wires

We have measured the effect of bonding of a CO molecule on the conductance of Au, Cu, Pt, and Ni atomic contacts at 4.2 K. When CO gas is admitted to the metal nano contacts, a conductance feature appears in the conductance histogram near 0.5 of the quantum unit of conductance, for all metals. For Au, the intensity of this fractional conductance feature can be tuned with the bias voltage, and it disappears at high bias voltage (above $\sim$ 200 mV). The bonding of CO to Au appears to be weakest, and associated with monotomic Au wire formation.Comment: 6 figure

Absence of magnetically-induced fractional quantization in atomic contacts

Using the mechanically controlled break junction technique at low temperatures and under cryogenic vacuum conditions we have studied atomic contacts of several magnetic (Fe, Co and Ni) and non-magnetic (Pt) metals, which recently were claimed to show fractional conductance quantization. In the case of pure metals we see no quantization of the conductance nor half-quantization, even when high magnetic fields are applied. On the other hand, features in the conductance similar to (fractional) quantization are observed when the contact is exposed to gas molecules. Furthermore, the absence of fractional quantization when the contact is bridged by H_2 indicates the current is never fully polarized for the metals studied here. Our results are in agreement with recent model calculations.Comment: 4 pages, 3 figure

Vibrationally Induced Two-Level Systems in Single-Molecule Junctions

Single-molecule junctions are found to show anomalous spikes in dI/dV spectra. The position in energy of the spikes are related to local vibration mode energies. A model of vibrationally induced two-level systems reproduces the data very well. This mechanism is expected to be quite general for single-molecule junctions. It acts as an intrinsic amplification mechanism for local vibration mode features and may be exploited as a new spectroscopic tool.Comment: 4 pages, 4 figure

Evidence for a single hydrogen molecule connected by an atomic chain

Stable, single-molecule conducting-bridge configurations are typically identified from peak structures in a conductance histogram. In previous work on Pt with H$_2$ at cryogenic temperatures it has been shown that a peak near 1 $G{_0}$ identifies a single molecule Pt-H$_{2}$-Pt bridge. The histogram shows an additional structure with lower conductance that has not been identified. Here, we show that it is likely due to a hydrogen decorated Pt chain in contact with the H$_2$ molecular bridge.Comment: 4 pages, 4 figure

Highly conductive molecular junctions based on direct binding of benzene to platinum electrodes

Highly conductive molecular junctions were formed by direct binding of benzene molecules between two Pt electrodes. Measurements of conductance, isotopic shift in inelastic spectroscopy and shot noise compared with calculations provide indications for a stable molecular junction where the benzene molecule is preserved intact and bonded to the Pt leads via carbon atoms. The junction has a conductance comparable to that for metallic atomic junctions (around 0.1-1 Go), where the conductance and the number of transmission channels are controlled by the molecule's orientation at different inter-electrode distances.Comment: 4 pages, 4 figure

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, G_0 = 2e^2/h, carried by a single channel. Using point contact spectroscopy three vibration modes are observed and their variation upon stretching and isotope substitution is obtained. The interpretation of the experiment in terms of a Pt-H_2-Pt bridge is verified by Density Functional Theory calculations for the stability, vibrational modes, and conductance of the structure.Comment: 5 pages, 4 figure

A Software-Agnostic Agent-based Platform for Modelling Emerging Mobility Systems

Due to the rapidly accelerated innovation cycle in transport and the emergence of new mobility concepts and technologies, public authorities, policy makers, and transport planners are currently in need of the tools for sustainable spatial and transport planning in the new mobility era. In this paper, a new modular, software-agnostic and activity-based spatial and transport planning platform is designed, i.e, the HARMONY Model Suite, that facilitates a novel integration of new and existing spatial and transport modelling tools. The paper focuses on describing the architecture of the platform and its passenger mobility simulation framework, which integrates -in an interoperable manner- activity-based models, mobility service management, and traffic simulation tools for evaluating new mobility system dynamics. The service management controllers for new mobility concepts are discussed in more detail with regards to their functionality and applicability

The number of transmission channels through a single-molecule junction

We calculate transmission eigenvalue distributions for Pt-benzene-Pt and Pt-butadiene-Pt junctions using realistic state-of-the-art many-body techniques. An effective field theory of interacting $\pi$-electrons is used to include screening and van der Waals interactions with the metal electrodes. We find that the number of dominant transmission channels in a molecular junction is equal to the degeneracy of the molecular orbital closest to the metal Fermi level.Comment: 9 pages, 8 figure

The molecular signature of highly conductive metal-molecule-metal junctions

The simplicity of single-molecule junctions based on direct bonding of a small molecule between two metallic electrodes make them an ideal system for the study of fundamental questions related to molecular electronics. Here we study the conductance properties of six different molecules suspended between Pt electrodes. All the molecular junctions show a typical conductance of about 1G0 which is ascribed to the dominant role of the Pt contacts. However, despite the metallic-like conductivity, the individual molecular signature is well-expressed by the effect of molecular vibrations in the inelastic contribution to the conductance.Comment: 7 pages, 7 figures, 1 table. Related paper: J. Ferrer and V. M. Garc\'ia-Su\'arez, Phys. Rev. B 80, 085426 (2009

Shot noise suppression at room temperature in atomic-scale Au junctions

Shot noise encodes additional information not directly inferable from simple electronic transport measurements. Previous measurements in atomic-scale metal junctions at cryogenic temperatures have shown suppression of the shot noise at particular conductance values. This suppression demonstrates that transport in these structures proceeds via discrete quantum channels. Using a high frequency technique, we simultaneously acquire noise data and conductance histograms in Au junctions at room temperature and ambient conditions. We observe noise suppression at up to three conductance quanta, with possible indications of current-induced local heating and $1/f$ noise in the contact region at high biases. These measurements demonstrate the quantum character of transport at room temperature at the atomic scale. This technique provides an additional tool for studying dissipation and correlations in nanodevices.Comment: 15 pages, 4 figures + supporting information (6 pages, 6 figures