相关论文: Dynamical correction to linear Kohn-Sham conductan…
Non-equilibrium Greens function techniques (NEGF) combined with Density Functional Theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nano-junctions in the coherent…
Properties of one-dimensional (1D) arrays of low Ohmic tunnel junctions (i.e. junctions with resistances comparable to, or less than, the quantum resistance $R_{\rm q}\equiv h/e^2\approx 25.8$ k$\Omega$) have been studied experimentally and…
We develop the general non-equilibrium theory of transport through a quantum dot, including Coulomb Blockade effects via a 1/N expansion, where N is the number of scattering channels. At lowest order we recover the Landauer formula for the…
We present explicit kinetic equations for quantum transport through a general molecular quantum-dot, accounting for all contributions up to 4th order perturbation theory in the tunneling Hamiltonian and the complete molecular density…
A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between the three basic variables of the theory, i.e., the density…
Transport properties of disordered carbon nanotubes are investigated with including long range Coulomb interactions. The resistivity and optical conductivity are calculated by using the memory functional method. In addition, the effect of…
We report a study of spin dependent transport in a system composed of a quantum dot coupled to a normal metal lead and a ferromagnetic lead (NM-QD-FM). We use the master equation approach to calculate the spin-resolved currents in the…
We investigate the transport characteristics of a redox system weakly coupled to leads in the Coulomb blockade regime. The redox system comprises a donor and acceptor separated by an insulating bridge in a solution. It is modeled by a…
We derive a master equation for the electron transport through molecular wires in the limit of strong Coulomb repulsion. This approach is applied to two typical situations: First, we study transport through an open conduction channel for…
Knowledge of exact properties of the exchange-correlation (xc) functional is important for improving the approximations made within density functional theory. Features such as steps in the exact xc potential are known to be necessary for…
We study the non-equilibrium transport properties of a one-dimensional array of dissipative quantum dots. Using the Keldysh formalism, we show that the dots' dissipative nature leads to a spatial variation of the chemical potential, which…
We investigate Coulomb drag in a system of two capacitively coupled superconducting nanowires. In this context, drag refers to the appearance of a stationary voltage in the passive wire in response to a current bias applied to the active…
The most challenging scenario for Kohn-Sham density functional theory, that is when the electrons move relatively slowly trying to avoid each other as much as possible because of their repulsion (strong-interaction limit), is reformulated…
Molecular dynamics (MD) simulations are used to calculate transport coefficients in a two-component plasma interacting through a repulsive Coulomb potential. The thermal conductivity, electrical conductivity, electrothermal coefficient,…
Three terminal tunnelling experiments on quantum dots in the Coulomb blockade regime allow a quantitative determination of the coupling strength of individual quantum states to the leads. Exploiting this insight we have observed independent…
We investigate the effect of local Coulomb correlations on electronic transport through a variety of coupled quantum dot systems connected to Fermi liquid leads. We use a newly developed functional renormalization group scheme to compute…
Kohn-Sham (KS) formalism of Density Functional Theory is modified to include the systems with strong non-dynamic electron correlation. Unlike in extended KS and broken symmetry unrestricted KS formalisms, cases of both singlet-triplet and…
We study transport through a quantum dot side-coupled to two parallel Luttinger liquid leads in the presence of a Coulombic dot-lead interaction. This geometry enables an exact treatment of the inter-lead Coulomb interactions. We find that…
We observe and comprehend the dynamical Coulomb blockade suppression of the electrical conductance across an electronic quantum channel submitted to a temperature difference. A broadly tunable, spin-polarized Ga(Al)As quantum channel is…
We show that the Landauer multi-terminal formula for the conductance of a nanoscale system is incomplete because it does not take into account many-body effects which cannot be treated as contributions to the single-particle transmission…