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Using a first principles approach to electron transport, we calculate the electrical and thermoelectrical transport properties of a series of molecular wires containing benzo-difuran subunits. We demonstrate that the side groups introduce…
We examine theoretically coherent electron transport through the single-molecule magnet Mn$_{12}$, bridged between Au(111) electrodes, using the non-equilibrium Green's function method and the density-functional theory. We analyze the…
Electron interactions in and between wires become increasingly complex and important as circuits are scaled to nanometre sizes, or employ reduced-dimensional conductors like carbon nanotubes, nanowires and gated high mobility 2D electron…
We simulate bulk materials under strong currents by following in real-time the dynamics of the electrons under an electric field. By changing the intensity of the electric field, our method can model, for the first time, non-linear effects…
The magnetic and transport properties of the metal phthalocyanine (MPc) and F$_{16}$MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S-Au wires are investigated by density functional theory within…
The conductance through a semi-infinite one-dimensional wire, partly embedded in a superconducting bulk electrode, is studied. When the electron-electron interactions within the wire are strongly repulsive, the wire effectively decouples…
We validate that off-resonant electron transport across {\it ultra-short} oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a method to determine the damping factor via the…
The unknown quantum electronic conductance across nanojunctions made of silicon-doped carbon wires between carbon leads is investigated. This is done by an appropriate generalization of the phase field matching theory for the…
We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's…
Numerical simulations of filamentary type II superconducting wires under simultaneous AC transport current and oscillating transverse magnetic fields are performed within the critical state approximation. The time dependences of the current…
We study the transport properties of a long non-uniform quantum wire where the electron-electron interactions and the density vary smoothly at large length scales. We show that these inhomogeneities lead to a finite resistivity of the wire,…
We demonstrate guiding of cold neutral atoms along a current carrying wire. Atoms either move in Kepler-like orbits around the wire or are guided in a potential tube on the side of the wire which is created by applying an additional…
Dynamic conductance and time-of-flight current instability in a quantum wire connected to electron reservoirs under DC bias voltage are studied in the absence of a gate screening the Coulomb interaction of electrons. Due to a strong…
We consider the shape of the curves of "Andreev" conductance of non-ballistic point contact NS heterosystems depending on the bias voltage at the contact. The obtained shape of those curves is caused by the contribution from the mechanism…
We report the low temperature current-voltage (I-V) characteristics studies in quasi-one dimensional conducting polymer nanofibers. We find a threshold voltage Vt below which little current flows at temperatures below 30-40 K. For V > Vt…
In recent years, several experimental groups have reported measurements of the current-voltage (I-V) characteristics of individual or small numbers of molecules. Our purpose in this chapter is to provide an intuitive explanation for the…
The influence of contacts on linear transport through a molecular wire attached to mesoscopic tubule leads is studied. It is shown that low dimensional leads, such as carbon nanotubes, in contrast to bulky electrodes, strongly affect…
Recent experiments on amorphous materials have established the existence of surface states similar to those of crystalline three-dimensional topological insulators (TIs). Amorphous topological insulators are also independently of interest…
We analyze the transport properties of a Luttinger liquid with an imbedded impurity of explicitly time-dependent strength. We employ a radiative boundary condition formalism to describe the coupling to the voltage sources. Assuming the…
We have studied quantum wires using the Green's function technique and the density-functional theory, calculating the electronic structure and the conductance. All the numerics are implemented using the finite-element method with a…