相关论文: Effects of Contact Parameters on Transmission thro…
A tight binding model for scanning tunneling microscopy images of a molecule adsorbed on a metal surface is described. The model is similar in spirit to that used to analyze conduction along molecular wires connecting two metal leads and…
The transport coefficients of the Anderson model require knowledge of both the temperature and frequency dependence of the single--particle spectral densities and consequently have proven difficult quantities to calculate. Here we show how…
We employ quantum molecular dynamic simulations to investigate the behavior of benzene under shock conditions. The principal Hugoniot derived from the equation of state is determined. We compare our firs-principles results with available…
The electronic structure of benzene on graphite (0001) is computed using the GW approximation for the electron self-energy. The benzene quasiparticle energy gap is predicted to be 7.2 eV on graphite, substantially reduced from its…
We study the quantum diffusion in quasiperiodic tight-binding models in one, two, and three dimensions. First, we investigate a class of one-dimensional quasiperiodic chains, in which the atoms are coupled by weak and strong bonds aligned…
The theory of correlated electrons is currently moving beyond the paradigmatic Hubbard $U$, towards the investigation of intersite Coulomb interactions. Recent investigations have revealed that these interactions are relevant for the…
We exploit millimeter wave technology to measure the reflection and transmission response of random dielectric media. Our samples are easily constructed from random stacks of identical, sub-wavelength quartz and Teflon wafers. The…
We have explored the question of whether the renormalization group running of the neutrino mixing parameters in the Minimal Supersymmetric Standard Model is detectable with ultra-high energy neutrinos from active galactic nuclei (AGN). We…
We develop an Over Barrier Model for computing charge exchange between ions and one-active-electron atoms at low impact energies. The main feature of the model is the treatment of the barrier crossing process by the electron within a…
We use the technique of bosonization to understand a variety of recent experimental results on the conductivity of a quantum wire. The quantum wire is taken to be a finite-length Luttinger liquid connected on two sides to semi-infinite…
Electrical conductance through various nanocontacts between gold electrodes is studied by using the density functional theory, scalar-relativistic pseudopotentials, generalized gradient approximation for the exchange-correlation energy and…
Transport through a one-dimensional wire of interacting electrons connected to semi infinite leads is investigated using a bosonization approach. The dynamic nonlocal conductivity is rigorously expressed in terms of the transmission. For…
To understand the band bending caused by metal contacts, we study the potential and charge density induced in graphene in response to contact with a metal strip. We find that the screening is weak by comparison with a normal metal as a…
We explore the quantum dynamics of heteronuclear atomic collisions in waveguides and demonstrate the existence of a novel mechanism for the resonant formation of polar molecules. The molecular formation probabilities can be tuned by…
Describing the diffusion of particles through crowded, confined environments with which they can interact is of considerable biological and technological interest. Under conditions where the confinement dimensions become comparable to the…
Correlations derived through single-particle approximations of the many-body problem frequently result in erroneously inflated or diminished physical properties. In the context of transition metals, the impact of correlations can be…
Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed. The new modified BEB (MBEB) and its…
Different contact regimes between a spherical lens and a periodically patterned substrate are observed, when they are pressed against each other. Top contact occurs when only the highest substrate sections touch the lens, whereas mixed…
Electron coupling to intra- and inter-molecular vibrational modes is investigated in models appropriate to single crystal organic semiconductors, such as oligoacenes. Focus is on spectral and transport properties of these systems beyond…
We study transmission in a system consisting of a curved graphene surface as an arc (ripple) of circle connected to two flat graphene sheets on the left and right sides. We introduce a mass term in the curved part and study the effect of a…