相关论文: Overlap Effects on Benzene Transmission
The interplay between Coulomb interaction and orbital symmetry produces specific transport characteristics in molecular single electron transistors (SET) that can be considered as the fingerprints of the contacted molecule. Specifically we…
Context: Some secondary effects are known to introduce variations in spectra of massive binaries. These phenomena (such as the Struve--Sahade effect, difficulties to determine properly the spectral type,...) have been reported and…
The effect of Coulomb interaction in an ensemble of Dirac fermions on the formation of superconducting pairing in monolayer and bilayer doped graphene is studied using the Kohn-Luttinger mechanism disregarding the Van der Waals potential of…
The effect of topology on the collapse transition and instantaneous shape of an energy polydisperse polymer (a model heteropolymer) is studied by means of computer simulations. In particular, we consider three different chain topology,…
The application of the Lorentz integral transform (LIT) method to photon scattering off nuclei is presented in general. As an example, elastic photon scattering off the deuteron in the unretarded dipole approximation is considered using the…
The impact of surface reflection upon transmission through and energy distributions within random media has generally been described in terms of the boundary extrapolation lengths $z_b, z_b'$ at the input and output end of an open sample,…
The effect on molecular transport due to chemical modification of the metal-molecule interface is investigated, using as an example the prototypical molecular device formed by attaching a p-disubstituted benzene molecule onto two gold…
In this second paper, we develop transferable semi-empirical parameters for the technologically important material, silicon, using Extended Huckel Theory (EHT) to calculate its electronic structure. The EHT-parameters areoptimized to…
The Onsager-de Groot-Callen transport theory, implemented as a network model, is used to simulate the transient Harman method, which is widely used experimentally to determine all thermoelectric transport coefficients in a single…
Simulations of scanning tunneling microscopy measurements for molecules on surfaces are traditionally based on a perturbative approach, most typically employing the Tersoff-Hamann method. This assumes that the STM tip is far from the sample…
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…
A rescaled Manning potential is obtained in the analysis of scatterings of small- amplitude excitations with a kink defect. The generic model is a nonlinear Klein- Gordon Hamiltonian describing a one-dimensional chain of identical…
We study the influence of inelastic electron-electron scattering on the temperature variation of the Seebeck coefficient in the normal phase of quasi-one-dimensional organic superconductors. The theory is based on the numerical solution of…
The study of the optical transmission matrix (TM) of a sample reveals important statistics of light transport through it. The accuracy of the statistics depends strongly on the orthogonality and completeness of the basis in which the TM is…
The tunneling spectrum of an electron and a hole in a superlattice of NS junctions is computed using the BTK approach and the transfer matrix method. It shows sharp resonances at some energies above the superconducting gap. The sharper the…
Using a semiclassical Boltzmann transport equation (BTE) approach, we derive analytical expressions for electric and thermoelectric transport coefficients of graphene in the presence and absence of a magnetic field. Scattering due to…
The transmissions of matter wave solitons through linear and nonlinear inhomogeneities induced by the spatial variations of the trap and the scattering length in Bose-Einstein condensates are investigated. New phenomena, such as the…
Two-band electronic structures with a valence and a conduction band separated by a tunable energy gap and with pairing of electrons in different channels can be relevant to investigate the properties of two-dimensional multiband…
We investigate the conductance spectra of a normal/superconductor graphene junction using the extended Blonder-Tinkham-Klapwijk formalism, considering pairing potentials that are both conventional (isotropic s-wave) and unconventional…
The finite-basis, pair formulation of the Spectral Theory of chemical bonding is briefly surveyed. Solutions of the Born-Oppenheimer polyatomic Hamiltonian totally antisymmetric in electron exchange are obtained from diagonalization of an…