Related papers: Resistance of a Molecule
In this paper we present a minimalistic model sufficient for current asymmetries in molecules. In particular, we search for an interaction on the molecule which causes current asymmetries independent of additional assumptions or the precise…
Transport through molecular devices with weak tunnel coupling to the leads but with strong coupling to a single vibrational mode is considered in the case where the vibration is damped by coupling to the environment. In particular, we…
We theoretically investigate the current-voltage (I-V) property of two-dimensional Coulomb blockade (CB) arrays by conducting Monte Carlo simulations. The I-V property can be divided into three regions and we report the dependence of the…
Recent experiments indicated that disorder effect in DNA may lead to a transition of the charge transport mechanism from band resonant tunnelling to thermal activated hopping. In this letter, based on Mott's variable-range hopping theory we…
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 investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic…
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…
Electron tunneling through a two stage Kondo system constituted by a double quantum-dot molecule side coupled to a quantum wire, under the effect of a finite external potential is studied. We found that $I$-$V$ characteristic shows a…
We present quantum simulations of carbon nanotube field-effect transistors (CNT-FETs) based on top-gated architectures and compare to electrical characterization on devices with 15 nm channel lengths. A non-equilibrium Green's function…
Density-functional calculations are used to clarify the role of an ultrathin LiF layer on Al electrodes used in molecular electronics. The LiF layer creates a sharp density of states (DOS), as in a scanning-tunneling microscope (STM) tip.…
We studied the electrical conductivity of DNA molecules with conducting atomic force microscopy as a function of the chemical nature of the substrate surfaces, the nature of the electrical contact, and the number of DNA molecules (from a…
We report a numerical study of transport properties of a quantum dot with superconducting leads. We introduce a general phenomenological model of quantum dot transport, in which electron tunnel rates are computed within the Fermi's Golden…
We analyze the transport in disordered two-dimensional nanoparticle arrays. We show that the commonly used scaling hypothesis to fit the I-V curves does not describe the electronic transport in these systems. On the contrary, close to the…
We report a first principles formalism and its numerical implementation for treating quantum transport properties of nanoelectronic devices with atomistic disorder. We developed a nonequilibrium vertex correction (NVC) theory to handle the…
In many organic molecules the strong coupling of excess charges to vibrational modes leads to the formation of polarons, i.e., a localized state of a charge carrier and a molecular deformation. Incoherent hopping of polarons along the…
The transport properties of a simple model for a finite level structure (a molecule or a dot) connected to metal electrodes in an alternating current scanning tunneling microscope (AC-STM) configuration is studied. The finite level…
A quantum transport model incorporating spin scattering processes is presented using the non-equilibrium Green's function (NEGF) formalism within the self-consistent Born approximation. This model offers a unified approach by capturing 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…
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…
Transport properties of molecular junctions are notoriously expensive to calculate with ab initio methods, primarily due to the semi-infinite electrodes. This has led to the introduction of different approximation schemes for the…