Related papers: Comparative study of the electron conduction in az…
A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…
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…
Non equilibrium Green's function methods are regularly used to calculate current and charge densities in nanoscale (both molecular and semiconductor) conductors under bias. This method is mainly used for ballistic conduction but may be…
We calculate the conductance of a circular constriction of radius $a$ in an insulating diaphragm which separates two conducting half-spaces characterized by the mean free path $\ell$. Our exact result interpolates between the Maxwell…
Recent advances in synthesis and electrical characterization of nanofibers and nanotubes made out of various conjugated polymers attract attention of the research community to studies of transport properties of these materials. In this work…
In this paper we present theoretical analysis of the electron transport in conducting polymers. We concentrate on the study of the effects of temperature on characteristics of the transport. We treat a conducting polymers in a metal state…
Electron transport in bilayer graphene is studied by using a first principles analysis and theMonte Carlo simulation under conditions relevant to potential applications. While the intrinsic properties are found to be much less desirable in…
The effect of dephasing on electron transport through a benzene molecule is carefully examined using a phenomenological model introduced by B\"{u}ttiker. Within a tight-binding framework all the calculations are performed based on the…
We present local and non-local electron transport measurements on individual multi-wall nanotubes for bias voltage between 0 and about 4 V. Local current-voltage characteristics are quite linear. In contrast, non-local measurements are…
We investigate here how the current flows over a bilayer graphene in the presence of an external electric field perpendicularly applied (biased bilayer). Charge density polarization between layers in these systems is known to create a layer…
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 description of the central region of the junction combined with a tight binding…
The interaction and tunneling conductance between oppositely located ends of coaxial carbon nanotubes are studied by the example of two (11,11) nanotubes with open ends terminated by hydrogen atoms. The Green function formalism is applied…
We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…
The electron transport properties of ZnO nano-wires coupled by two aluminium electrodes were studied by {\it ab initio} method based on non-equilibrium Green's function approach and density functional theory. A clearly rectifying…
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,…
We develop a hydrodynamic theory of charge and heat currents induced by traveling waves, such as surface acoustic waves, in graphene devices near charge neutrality. The currents depend on the intrinsic conductivity and viscosity of the…
We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…
Electronic properties of bilayer graphene are distinct from both the conventional two dimensional electron gas and monolayer graphene due to its particular chiral properties and excitation charge carrier dispersions. We study the effect of…
We have carried out first principles electronic structure and total energy calculations for a series of ultrathin aluminum nanowires, based on structures obtained by relaxing the model wires of Gulseren et al. The number of conducting…
We study the electron transmission through the domain boundary on bilayer graphene separating AB and BA stacking regions. Using the effective continuum model, we calculate the electron transmission probability as a function of the electron…