Related papers: Cumulene Molecular Wire Conductance from First Pri…
The influence of the charging effects on the transport characteristics of a molecular wire bridging two metallic electrodes in the limit of weak contacts is studied by generalized Breit-Wigner formula. Molecule is modeled as a quantum dot…
Analytic results for the conductance of a molecular wire attached to mesoscopic tubule leads are obtained. They permit to study linear transport in presence of low dimensional leads in the whole range of parameters. In particular contact…
Electronic transport at finite voltages in free-standing gold atomic chains of up to 7 atoms in length is studied at low temperatures using a scanning tunneling microscope (STM). The conductance vs voltage curves show that transport in…
We study the effect of Coulomb interactions on the conductance of a single-mode quantum wire connecting two bulk leads. When the density of electrons in the wire is very low, they arrange in a finite-length Wigner crystal. In this regime…
Molecular wires are essential components for future nanoscale electronics. However, the preparation of individual long conductive molecules is still a challenge. MMX metal-organic polymers are quasi-one-dimensional sequences of single…
We study transport through a one-dimensional quantum wire of correlated fermions connected to semi-infinite leads. The wire contains either a single impurity or two barriers, the latter allowing for resonant tunneling. In the leads the…
The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the…
Using spin density functional theory we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic…
We present local and non-local electron transport measurements on individual multi-wall nanotubes for bias voltage between 0 and about 4 V. Local current-voltage characteristics are quite linear. In contrast, non-local measurements are…
We investigate the origin of asymmetry in various measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry, with particular focus on a recent break junction measurement. We argue that such asymmetry…
We calculate the current-voltage characteristic of a homogeneously strained metallic carbon nanotube adsorbed on a substrate. The strain generates a gap in the energy spectrum leading to a reduction of the current. In the elastic regime,…
We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single oxygen atom (O) or one of the molecules O2 and O3 bridging…
We performed electronic transport measurements on 1D InAs quantum wires. In sufficiently disordered wires, transport is dominated by Coulomb blockade, and the conductance can be well described by tunneling through a quantum dot embedded…
The experimental value for the zero bias conductance of organic molecules coupled by thiol-groups to gold electrodes tends to be much smaller than the theoretical result based on density functional theory (DFT) calculations, often by orders…
The two kinds of carbyne, i.e., cumulene and polyyne, are investigated by the first principles, where the mechanical properties, electronic structure, optical and phonon properties of the two carbynes are calculated. The results on the…
We consider transport through a one-dimensional conductor subject to an external periodic potential and connected to non-interacting leads (a "Mott quantum wire"). For the case of a strong periodic potential, the conductance is shown to…
The influence of Coulomb interaction on the electron transport through molecular wires is studied in the regime of incoherent tunneling. In the limit of strong Coulomb repulsion, the current for spinless electrons is determined. It is shown…
The study of electron transport through single molecules is essential to the development of molecular electronics. Indeed, trends in electronic conductance through organic nanowires have emerged with the increasing reliability of electron…
Using a scanning tunnel microscope or mechanically controlled break junctions, atomic contacts of 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…
Based on the matrix Green's function method combined with hybrid tight-binding / density functional theory, we calculate the conductances of a series of gold-dithiol molecule-gold junctions including benzenedithiol (BDT),…