相关论文: Fullerene based devices for molecular electronics

Analytic results for the conductance of a molecular wire attached to mesoscopic tubule leads are obtained. They permit to study linear transport in presence of low dimensional leads in the whole range of parameters. In particular contact…

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…

We consider electronic structure and superconductivity aspects in field-doped polyacenes (PA) and C60. Within a modified Thomas-Fermi approach for typical experimental values of the surface charge density the injected charge is confined to…

We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scattering of the electrons. The adsorption of a single molecule…

The unknown quantum electronic conductance across nanojunctions made of silicon-doped carbon wires between carbon leads is investigated. This is done by an appropriate generalization of the phase field matching theory for the…

Combining density functional theory calculations for molecular electronic structure with a Green function method for electron transport, we calculate from first principles the molecular conductance of benzene connected to two Au leads…

Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance, since it leads to non-additive interactions and, therefore,…

We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…

We investigate the electron transport in multiply connected metallic carbon nanotubes within the Landauer-B\"{u}ttiker formalism. Quasibound states coupled to the incident $\pi^{*}$ states give rise to energy levels of different widths…

Nanoscale channels realized at the conducting interface between LaAlO$_{3}$ and SrTiO$_{3}$ provide a perfect playground to explore the effect of dimensionality on the electronic properties of complex oxides. Here we compare the electric…

Photoionization from atom-C60 hybrid levels in halogen endufullerene molecules, Cl@C60, Br@C60 and I@C60, are calculated using a linear response density functional method. Both the ordinary electron-configuration where the open shell…

Electronic conductance through a single molecule is sensitive towards its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling to the electrode levels, that are governed by…

We describe microscopic theory for the quantum transport through finite interacting systems connected to noninteracting leads. It can be applied to small systems such as quantum dots, quantum wires, atomic chain, molecule, and so forth. The…

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…

We discuss the steady-state electronic transport in solid-state and molecular devices in the quantum regime. The decimation technique allows a comprehensive description of the electronic structure. Such a method is used, in conjunction with…

Electron transport through a single-level quantum dot weakly coupled to Luttinger liquid leads is considered in the master equation approach. It is shown that for a weak or moderately strong interaction the differential conductance…

Carbon nanotubes are of central importance for applications in nano-electronics thanks to their exceptional transport properties. They can be used as sensors, for example in biological applications, provided that they are functionalized to…

We report encapsulated C60 molecules on electron transport in carbon-nanotube peapod quantum dots. We find atomic-like behaviors with doubly degenerate electronic levels, which exist only around ground states, by single electron…

The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. The conductance shows a crossover from localized to Ohmic behavior, just as…

Linear transport through a single-walled carbon nanotube ring (CNR), pierced by a magnetic field and capacitively coupled to a gate voltage source, is investigated starting from a model of interacting $p_z$-electrons. The dc-conductance,…