Related papers: Comparative study of the electron conduction in az…
Building upon traditional quantum chemistry calculations, we have implemented an {\em ab-initio} method to study the electrical transport in nanocontacts. We illustrate our technique calculating the conductance of C$_{60}$ molecules…
We investigate the effects of external electric fields on the electronic properties of bilayer armchair graphene nano-ribbons. Using atomistic simulations with Tight Binding calculations and the Non-equilibrium Green function formalism, we…
We study the conductance of a biased bilayer graphene flake with monolayer nanoribbon contacts. We find that the transmission through the bilayer ribbon strongly depends on the applied bias between the two layers and on the relative…
In this work, we study the electronic and transport properties of phosphorene nanorings in two perpendicular directions (zigzag and armchair directions) in the presence of zigzag metallic source and drain leads. Our results are based on the…
Thermoelectric properties of a two-level molecule attached to the metallic electrodes are analyzed using the equation of motion technique within the Green function formalism. Results show that the electrical conductance is strongly…
We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system -- \emph{biased bilayer}. The effect of the perpendicular…
One-dimensional nanowires with strong spin-orbit coupling and proximity-induced superconductivity are predicted to exhibit topological superconductivity with condensed-matter analogues to Majorana fermions. Here, the nonequilibrium Green's…
Ab initio calculation of dielectric response with high-accuracy electronic structure methods is a long-standing problem, for which mean-field approaches are widely used and electron correlations are mostly treated via approximated…
We investigate the non-equilibrium transport properties of a disordered molecular nanowire. The nanowire is regarded as a quasi-one-dimensional organic crystal composed of self-assembled molecules. One orbital and a single random energy are…
We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of…
We study the nonlinear elastic quantum electronic transport properties of nanoscopic devices using the Nonequilibrium Green's function (NEGF) method. The Green's function method allows us to expand the $I-V$ characteristics of a given…
We study theoretically the electron transport properties in carbon nanotubes under the influence of an external electric field E(t) using Boltzmann's equation. The current-density equation is derived. Negative differential conductivity is…
A new concept of an electromechanical nanodynamometer based on the relative displacement of layers of bilayer graphene is proposed. In this nanodynamometer, force acting on one of the graphene layers causes the relative displacement of this…
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based full ab initio description of the central region of the junction combined with a tight…
We have measured electron transport in small bundles of identical conducting Molybdenum Selenide nanowires where the number of weakly interacting one-dimensional chains ranges from 1-300. The linear conductance and current in these…
The surface bound electronic states of three-dimensional topological insulators, as well as the edge states in two-dimensional topological insulators, are investigated in the presence of a circularly polarized light. The strong coupling…
Single-electron transistors embedded in a vibrating nanoresonator such as a doubly-clamped carbon nanotube exhibit effects stemming from the coupling between electronic and vibrational degrees of freedom. In particular, a capacitive…
The temperature distribution in nanowires due to Joule heating is studied analytically using a continuum model and a Green's function approach. We show that the temperatures reached in nanowires can be much lower than that predicted by bulk…
Geometry incommensurability between weakly coupled shells in multi-walled carbon nanotubes is shown to be the origin of unconventional electronic conduction mechanism, power-law scaling of the conductance, and remarkable magnetotransport…
An expression for the conductance of interacting electrons in the diffusive regime as a function of the ensemble averaged persistent current and the compressibility of the system is presented. This expression involves only ground-state…