Conductance of a molecular wire attached to mesoscopic leads: contact effects

We study linear electron transport through a molecular wire sandwiched between nanotube leads. We show that the presence of such electrodes strongly influences the calculated conductance. We find that depending on the quality and geometry of the contacts between the molecule and the tubular reservoirs, linear transport can be tuned between an effective Newns spectral behavior and a more structured one. The latter strongly depends on the topology of the leads. We also provide analytical evidence for an anomalous behavior of the conductance as a function of the contact strength.Comment: 5 pages, 1 figure, to appear in Acta Physica Polonica

Comment on "Electron transport through correlated molecules computed using the time-independent Wigner function: Two critical tests"

The many electron correlated scattering (MECS) approach to quantum electronic transport was investigated in the linear response regime [I. Baldea and H. Koeppel, Phys. Rev. B. 78, 115315 (2008)]. The authors suggest, based on numerical calculations, that the manner in which the method imposes boundary conditions is unable to reproduce the well-known phenomena of conductance quantization. We introduce an analytical model and demonstrate that conductance quantization is correctly obtained using open system boundary conditions within the MECS approach.Comment: 18 pages, 4 figures. Physical Review B, to appea

Lattice-dynamical calculation of phonon scattering at a disordered interface

For an fcc crystal with central force interactions and separately for a scalar model on a square lattice, we compute exactly the phonon transmission coefficient $T(\omega)$ through a disordered planar interface between two identical semi - infinite leads. At high frequencies $T(\omega)$ exhibits a strong frequency dependence which is determined by the correlation length of the disorder.Comment: to appear in Physica B, proceedings of the 9th international conference on phonon scatterin

Fullerene based devices for molecular electronics

We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with the Landauer formalism. Owing to low-dimensionality, electron transport is very sensitive to the strength and geometry of interfacial bonds. Molecular contact between interfacial atoms and electrodes gives rise to a complex conductance dependence on the electron energy exhibiting spectral features of both the molecule and electrodes. These are attributed to the electronic structure of the C_60 molecule and to the local density of states of the leads, respectively.Comment: 4 pages, 2 figures, to appear in Physica

Conductance of a molecular junction mediated by unconventional metal-induced gap states

The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the highest-occupied and lowest-unoccupied molecular-orbital gap. Here, we present an alternative mechanism where electron transport is dominated by electrode surface states. They give rise to metallization of the molecular bridge and additional, pronounced conductance resonances allowing for substantial tailoring of its electronic properties via, e.g. a gate voltage. This is demonstrated in a field-effect geometry of a fullerene-bridge between two metallic carbon nanotubes.Comment: 7 pages, 5 figures included; to be published in Europhys. Let

An `all-carbon' molecular device

We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer conductance of this carbon hybrid system can be tuned within orders of magnitude not only by varying the tube-C$_{60}$ distance, but more importantly at fixed distances by i) changing the orientation of the Buckminsterfullerene or ii) rotating one of the tubes around its cylinder axis. Furthermore, it is explicitely shown that structural relaxation determines qualitatively the transmission spectrum of such devices.Comment: 4 pages, 4 figure

Absolute properties of the main-sequence eclipsing binary FM Leo

First spectroscopic and new photometric observations of the eclipsing binary FM Leo are presented. The main aims were to determine orbital and stellar parameters of two components and their evolutionary stage. First spectroscopic observations of the system were obtained with DDO and PST spectrographs. The results of the orbital solution from radial velocity curves are combined with those derived from the light-curve analysis (ASAS-3 photometry and supplementary observations of eclipses with 1 m and 0.35 m telescopes) to derive orbital and stellar parameters. JKTEBOP, Wilson-Devinney binary modelling codes and a two-dimensional cross-correlation (TODCOR) method were applied for the analysis. We find the masses to be M_1 = 1.318 $\pm$ 0.007 and M_2 = 1.287 $\pm$ 0.007 M_sun, the radii to be R_1 = 1.648 $\pm$ 0.043 and R_2 = 1.511 $\pm$ 0.049 R_sun for primary and secondary stars, respectively. The evolutionary stage of the system is briefly discussed by comparing physical parameters with current stellar evolution models. We find the components are located at the main sequence, with an age of about 3 Gyr.Comment: 5 pages, 4 figures, to appear in MNRA

Electron transport in nanotube--molecular wire hybrids

We study contact effects on electron transport across a molecular wire sandwiched between two semi-infinite (carbon) nanotube leads as a model for nanoelectrodes. Employing the Landauer scattering matrix approach we find that the conductance is very sensitive to parameters such as the coupling strength and geometry of the contact. The conductance exhibits markedly different behavior in the two limiting scenarios of single contact and multiple contacts between the molecular wire and the nanotube interfacial atoms. In contrast to a single contact the multiple-contact configuration acts as a filter selecting single transport channels. It exhibits a scaling law for the conductance as a function of coupling strength and tube diameter. We also observe an unusual narrow-to-broad-to-narrow behavior of conductance resonances upon decreasing the coupling.Comment: 4 pages, figures include