Related papers: Identifying contact effects in electronic conducti…
We study electron transport properties of some molecular wires and a unconventional disordered thin film within the tight-binding framework using Green's function technique. We show that electron transport is significantly affected by…
This study theoretically investigates the contact conductance in twisted bilayer graphene (TBG), providing a theoretical explanation for recent experimental observations from scanning tunneling microscopy (STM) and conductive atomic force…
A non-equilibrium Green's function formalism is used to study in detail the ballistic conductance of asymmetrically biased side-gated quantum point contacts (QPCs) in the presence of lateral spin-orbit coupling and electron-electron…
We present a theoretical study of spin-dependent transport through molecular wires bridging ferromagnetic metal nanocontacts. We extend to magnetic systems a recently proposed model that provides a em quantitative explanation of the…
Spin injection and detection in silicon is a difficult problem, in part because the weak spin-orbit coupling and indirect gap preclude using standard optical techniques. We propose two ways to overcome this difficulty, and illustrate their…
We analyze non-equilibrium current transport in molecular electronic devices, using as an example devices formed by two terphenyl dithiol molecules attached to gold electrodes. Using a first-principles based self-consistent matrix Green's…
Effect of contact interfaces, between metallic single-wall carbon nanotubes (SWCNT) and external electrodes made also of nanotubes, on the electrical conductance is studied. A tight-binding model with both diagonal and off-diagonal…
The work presents the extended theoretical model of the electrical conductance in non-magnetic and magnetic nano-size point contacts. The developed approach describes diffusive, quasi-ballistic, ballistic and quantum regimes of the…
In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…
In this work, we have investigated conduction through an artificial molecule comprising two coupled quantum dots. The question addressed is the role of inter-dot coupling on electronic transport. We find that the current through the…
We study the electronic transport through uniformly bent carbon nanotubes. For this purpose, we describe the nanotube with the tight-binding model and calculate the local current flow by employing non-equilibrium Green's functions (NEGF) in…
We review our experiments on the electronic transport properties of atomic contacts between metallic electrodes, in particular superconducting ones. Despite ignorance of the exact atomic configuration, these ultimate quantum point contacts…
We theoretically study the effect of a localized unpaired dangling bond (DB) on occupied molecular orbital conduction through a styrene molecule bonded to a n++ H:Si(001)-(2x1) surface. For molecules relatively far from the DB, we find good…
Using low-resistance electrical contacts, we have measured the intrinsic high-field transport properties of metallic single-wall carbon nanotubes. Individual nanotubes appear to be able to carry currents with a density exceeding 10^9…
An approach is developed for the determination of the current flowing through a nanosize silicon-on-insulator (SOI) metal-oxide-semiconductor field-effect transistors (MOSFET). The quantum mechanical features of the electron transport are…
For the study of molecular spin junctions, we take into account two types of couplings between the molecule and the metal leads: (i) electron transfer that gives rise to net current in the biased junction and (ii) energy transfer between…
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 transport of charge carriers through finite graphene structures. The use of numerical exact kernel polynomial and Green function techniques allows us to treat actual sized samples beyond the Dirac-cone approximation.…
We present a systematic study of the ballistic electron conductance through sp and 3d transition metal atoms attached to copper and palladium crystalline electrodes. We employ the 'ab initio' screened Korringa-Kohn-Rostoker Green's function…
Electron transfer processes at molecule-semiconductor interfaces involve a complex mixture of thermionic, tunneling and hopping events. Traditionally these processes have been modeled in a piece-meal fashion, relying on phenomenological…