Related papers: Counterintuitive issues in the charge transport th…
A quantum critical point (QCP) arises at a continuous transition between competing phases at zero temperature. Collective excitations at magnetic QCPs give rise to metallic properties that strongly deviate from the expectations of Landau's…
The experimental value for the zero bias conductance of organic molecules coupled by thiol-groups to gold electrodes tends to be much smaller than the theoretical result based on density functional theory (DFT) calculations, often by orders…
We discuss the factors that determine the overall shape and magnitude of the current-voltage (I-V) characteristics of a variety of molecular conductors sandwiched between two metallic contacts. We analyze the individual influences of the…
The standard theory of metals, Fermi liquid theory, hinges on the key assumption that although the electrons interact, the low-energy excitation spectrum stands in a one-to-one correspondence with that of a non-interacting system. In the…
The phenomenology of charge transport in synthetic metals is reviewed. It is argued that the conventional quasiparticle picture and Boltzmann transport theory do not apply to these materials. The central ideas of Fermi liquid theory are…
We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…
The accurate determination of the lowest electron attachment ($EA$) and ionization ($IP$) energies for molecules embedded in molecular junctions is important for correctly estimating, \emph{e.g.}, the magnitude of the currents ($I$) or the…
Recent experiments on electron- or hole-doped SrTiO$_{3}$ have revealed a hitherto unknown form of superconductivity, where the Fermi energy of the paired electrons is much lower than the energies of the bosonic excitations thought to be…
This work emphasizes that the transition voltages $V_{t \pm}$ for both bias polarities ($V${\raisebox{1.2ex}{$_{\stackrel{>}{<}}$}0}) should be used to properly determine the energy offset $\varepsilon_{0}$ of the molecular orbital closest…
We study the transport through a molecular junction exhibiting interference effects. We show that these effects can still be observed in the presence of molecular vibrations if Coulomb repulsion is taken into account. In the Kondo regime,…
Good metals are characterised by diffusive transport of coherent quasi-particle states and the resistivity is much less than the Mott-Ioffe-Regel (MIR) limit, $\frac{ha}{e^{2}}$, where $a$ is the lattice constant. In bad metals, such as…
As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave…
The Coulomb gap in a donor-acceptor model with finite charge transfer energy $\Delta$ describing the electronic system on the dielectric side of the metal-insulator transition is investigated by means of computer simulations on two- and…
Quantum transport properties through some multilevel quantum dots sandwiched between two metallic contacts are investigated by the use of Green's function technique. Here we do parametric calculations, based on the tight-binding model, to…
We investigate electron transport through a diatomic molecule parallelly coupled to infinite source and drain contacts. We utilize a model Hamiltonian involving a Hubbard term in which the contacts are modeled using recently developed…
It is proposed two models describing transport and absorbtion processes that occur in nanoscale fragments of electrical circuits, pulled adsorbed molecules, atomic or molecular chains connecting electrodes. Discrete chain model of a…
It is shown that the conductance $G$ of the quantum microconstriction in the metal with an opened Fermi surface as a function of the contact diameter undergoes the jumps $e^{2}/h$ of the opposite sign. The negative jumps is the result of…
Molecule-electrode interfaces in molecular electronic junctions are prone to chemical reactions, structural changes, and localized heating effects caused by electric current. These can be exploited for device functionality or may be…
The charge ordering transition induced by the nearest-neighbor Coulomb repulsion, V, in the 1/4-filled extended Hubbard model is investigated using Cellular Dynamical Mean-Field Theory. We find a transition to a strongly renormalized charge…
Molecular contacts are generally poorly conducting because their energy levels tend to lie far from the Fermi energy of the metal contact, necessitating undesirably large gate and bias voltages in molecular electronics applications.…