Related papers: Quantum transport through molecular wires
We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to…
We study electron transport in composite ferroelectrics --- materials consisting of metallic grains embedded in a ferroelectric matrix. Due to its complex tunable morphology the thermodynamic properties of these materials can be essentially…
Electron transport properties are investigated in an array of mesoscopic rings, where each ring is threaded by a magnetic flux $\phi$. The array is attached to two semi-infinite one-dimensional metallic electrodes, namely, source and drain,…
Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…
We study electron transport through a quantum interferometer with side-coupled quantum dots. The interferometer, threaded by a magnetic flux $\phi$, is attached symmetrically to two semi-infinite one-dimensional metallic electrodes. The…
We theoretically investigate the transport properties of a molecule embedded in one arm of a mesoscopic Aharonov-Bohm interferometer. Due to the presence of phonons the molecule level position ($\epsilon_d$) and the electron-electron…
Using Green's function equation of motion within Lacroix decoupling scheme, we examine the thermoelectric transport features of a strongly interacting quantum dot coupled between metallic leads. We demonstrate that a qualitative description…
We study transport through multiply coupled carbon nano-tubes (quantum wires) and compute the conductances through the two wires as a function of the two gate voltages $g_1$ and $g_2$ controlling the chemical potential of the electrons in…
We theoretically investigate the electron transport properties for a semiconductor quantum wire containing a single finite-size attractive impurity under an external terahertz electromagnetic field illumination in the ballistic limit.…
An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within 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…
In the field of molecular electronics, particularly in quantum transport studies, the orientation of molecules plays a crucial role. This orientation, with respect to the electrodes, can be defined through the cavity of ring-shaped…
We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…
Long, stable and free-standing linear atomic carbon wires have been carved out from graphene recently [Meyer et al: Nature (London) 2008, 454, 319; Jin et al: Phys: Rev: Lett: 2009, 102, 205501]. They can be considered as the extremely…
We investigate the conformation-dependent electron transfer in a biphenyl molecule within a simple tight-binding framework. The overall junction current and circular currents in two benzene rings driven by applied bias voltage are…
A recursive Green's function method is employed to calculate the density-of-states, transmission function, and current through a 150 layer (3,3) armchair nanotorus (1800 atoms) with laterally attached metallic leads as functions of relative…
Non-equilibrium Green's functions (NEGF) formalism combined with extended Huckel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. Analyzed molecular complex is composed of asymmetric…
The electronic transport properties and switching mechanism of single photochromic diarylethene derivatives sandwiched between two gold surfaces with closed and open configurations are investigated by a fully self-consistent nonequilibrium…
We consider scattering and transport in interacting quantum wires that are connected to leads. Such a setup can be represented by a minimal model of interacting fermions with inhomogeneities in the form of sudden changes in interaction…
The transport properties of quantum dots with up to N=7 electrons ranging from the weak to the strong interacting regime are investigated via the projected Hartree-Fock technique. As interactions increase radial order develops in the dot,…