Related papers: Identifying contact effects in electronic conducti…
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…
Theoretical and experimental values to date for the resistances of single molecules commonly disagree by orders of magnitude. By reformulating the transport problem using boundary conditions suitable for correlated many-electron systems, we…
We calculate non-perturbatively the inelastic effects on the conductance through a conjugated molecular wire-metal heterojunction, including realistic electron-phonon coupling. We show that at sub-band-gap energies the current is dominated…
We study the impact of the valence and the geometry on the electronic structure and transport properties of different transition metal-benzene sandwich molecules bridging the tips of a Cu nanocontact. Our density-functional calculations…
We study effects of electron-electron interactions on the steady-state characteristics of a hexagonal molecular ring in a magnetic field, as a model for a benzene molecular junction. The system is driven out of equilibrium by applying a…
We show that a model of interacting electrons in one dimension is able to explain the order of magnitude as well as the temperature dependence of the critical supercurrents recently measured in nanotube samples placed between…
We describe how to treat the interaction of travelling electrons with localised vibrational modes in nanojunctions. We present a multichannel scattering technique which can be applied to calculate the transport properties for realistic…
It has been suggested that microtubules and other cytoskeletal filaments may act as electrical transmission lines. An electrical circuit model of the microtubule is constructed incorporating features of its cylindrical structure with…
We investigate the transmission of electrons between conducting nanoribbon leads oriented at multiples of 60 degrees with respect to one another, connected either directly or through graphene polygons. A mode-matching analysis suggests that…
The impact of surface roughness on conductive heat transfer across nanoscale contacts is investigated by means of scanning thermal microscopy. Silicon surfaces with out-of-plane rms roughness of ~0, 0.5, 4, 7 and 11 nm are scanned both…
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…
We perform molecular dynamics simulations to investigate the reduction of the thermal conductivity by kinks in silicon nanowires. The reduction percentage can be as high as 70% at room temperature. The temperature dependence of the…
We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…
Electrical and thermal transport properties of C60 molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom…
I construct a minimal formalism to describe transport of non separable correlations arising when a superconductor is in contact with several electrodes (being ferromagnetic or normal metal). Transport theory is expressed in terms of…
In this work, we investigated tensile and compression forces effect on the thermal conductivity of silicon. We used equilibrium molecular dynamics approach for the evaluation of thermal conductivity considering different interatomic…
We study the transport properties of a voltage-biased Josephson junction where the BCS superconducting leads are coupled via the edges of a quantum Hall sample. In this scenario, an out of equilibrium Josephson current develops, which is…
Electron transport in a self-consistent potential along a ballistic two-terminal conductor has been investigated. We have derived general formulas which describe the nonlinear current-voltage characteristics, differential conductance, and…
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…
Molecular electronic devices are the upmost destiny of the miniaturization trend of electronic components. Although not yet reproducible on large scale, molecular devices are since recently subject of intense studies both experimentally and…