Related papers: Tailoring the Fermi level of the leads in molecula…
The influence of excited levels on nonlinear transport properties of a quantum dot weakly coupled to leads is studied using a master--equation approach. A charging model for the dot is compared with a quantum mechanical model for…
We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…
In this review, we survey the current progress in computing transport properties in semimetals which harbour non-Fermi liquid phases. We first discuss the widely-used Kubo formalism, which can be applied to the effective theory describing…
We derive a master equation for the electron transport through molecular wires in the limit of strong Coulomb repulsion. This approach is applied to two typical situations: First, we study transport through an open conduction channel for…
The electron transport properties of a four-terminal molecular device are computed within the framework of density functional theory and non-equilibrium Keldysh theory. The additional two terminals lead to new properties, including a…
We report a full self-consistent ab initio calculation of the current-voltage curve and the conductance of thiolate capped polyynes in contact with gold electrodes. We find the conductance of polyynes an order of magnitude larger compared…
We report on non-equilibrium electronic transport through normal-metal (Cu) nanobridges coupled to large reservoirs at low temperatures. We observe a logarithmic temperature dependence of the zero-bias conductance, as well as a universal…
The alignment of molecular levels with the Fermi energy in single molecule junctions is a crucial factor in determining their conductance or the observability of quantum interference effects. In the present study which is based on density…
We theoretically study the electronic transport in the monolayer of dithiolated phenylene vinylene oligomeres coupled to the (111) surfaces of gold electrodes. We use non-equilibrium Green functions (NEGF) and density functional theory(DFT)…
A model is presented for the quantum transport of electrons, across finite atomic wire nanojunctions between electric leads, at zero bias limit. In order to derive the appropriate transmission and reflection spectra, familiar in the…
We present a theoretical study of the electronic transport through single-molecule junctions incorporating a Pt6 metal cluster bound within an organic framework. We show that the insertion of this molecule between a pair of electrodes leads…
Designing molecular nanowires with high electrical conductance that facilitate efficient charge transport over long distances is highly desirable for future molecular-scale circuitry. However, most molecular wires act as tunnel barriers,…
Coherent electronic transport through individual molecules is crucially sensitive to quantum interference. Using exact diagonalization techniques, we investigate the zero-bias and zero-temperature conductance through $\pi$-conjugated…
The non-equilibrium transport properties of a carbon nanotube which is connected to Fermi liquid leads, where electrons are injected in the bulk, are computed. A previous work which considered an infinite nanotube showed that the zero…
Following demands for materials with peculiar transport properties, e.g. in magnetoelectronics or thermoelectrics, there is a need for materials modeling at the quantum-mechanical level. We combine density-functional with various…
An existence of predominant symmetrical spin configuration (spin polarised phase) and "diluted" density of states (pseudo-gap) in a layer under the Fermi level in a quantum wire is predicted. The condition of cross-over from non-polarised…
We study the electrical conductivity in a nodal-line semimetal with charged impurities. The screening of the Coulomb potential in this system is qualitatively different from what is found in conventional metals or semiconductors, with the…
We analyze the out of plane hopping in models of layered systems where the in--plane properties deviate from Landau's theory of a Fermi liquid. We show that the hopping term acquires a non trivial energy dependence, due to the coupling to…
We study dynamic nonequilibrium electron charging phenomena in ballistic molecular devices at room temperature that compromise their response to bias and whose nature is evidently distinguishable from static Schottky-type potential…
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…