相关论文: Density functional description of Coulomb blockade…

We propose a method for the evaluation of magnetic exchange couplings based on noncollinear spin-density functional calculations. The method employs the second derivative of the total Kohn-Sham energy of a single reference state, in…

We present a theory of zero-bias anomalies and dephasing rates for a Coulomb-blockaded quantum dot, driven out of equilibrium by coupling to voltage biased source and drain leads. We interpret our results in terms of the statistics of…

We present here novel insight into exchange-correlation functionals in density functional theory, based on the viewpoint of optimal transport. We show that in the case of two electrons and in the semiclassical limit, the exact…

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…

We report finite-bias characteristics of electrical transport through phosphorus donors in silicon nanoscale transistors, in which we observe inelastic-cotunneling current in the Coulomb blockade region. The cotunneling current appears like…

We present a comprehensive set of numerically exact results for the Anderson model of a quantum dot coupled to two electrodes in non-equilibrium regime. We use a high order perturbative expansion in power of the interaction $U$, coupled to…

We report the observation of Coulomb blockade in a quantum dot contacted by two quantum point contacts each with a single fully-transmitting mode, a system previously thought to be well described without invoking Coulomb interactions. At…

We study transport through a quantum dot in the fractional quantum Hall regime with filling factors \nu=2/3 and \nu=5/2, weakly coupled to the leads. We account for both injection of electrons to/from the leads, and quasiparticle…

We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…

Coulomb coupling between proximal layers in graphene heterostructures results in efficient energy transfer between the layers. We predict that, in the presence of correlated density inhomogeneities in the layers, vertical energy transfer…

From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is…

We report measurements of photon-assisted transport and noise in a tunnel junction in the regime of dynamical Coulomb blockade. We have measured both dc non-linear transport and low frequency noise in the presence of an ac excitation at…

We show that charge fluctuation processes are crucial for the nonlinear heat conductance through an interacting nanostructure, even far from a resonance. We illustrate this for an Anderson quantum dot accounting for the first two leading…

A low-temperature scanning tunneling microscope is employed to build a junction comprising a Co atom bridging a copper-coated tip and a Cu(100) surface. An Abrikosov-Suhl-Kondo resonance is evidenced in the differential conductance and its…

Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…

Using exact diagonalization numerical methods, as well as analytical arguments, we show that for the typical electron densities in chaotic and disordered dots the peak spacing distribution is not bimodal, but rather Gaussian. This is in…

Adsorbed transition metal atoms can have partially filled $d$- or $f$-shells due to strong on-site Coulomb interaction. Capturing all effects originating from electron correlation in such strongly correlated systems is a challenge for…

Deorbitalization of a conventional meta-generalized-gradient exchange-correlation approximation replaces its dependence upon the Kohn-Sham kinetic energy density with a dependence on the density gradient and Laplacian. In principle, that…

A fully analytical approach based on the equation of motion technique to investigate the spectral properties and orbital occupations in an interacting double quantum dot in equilibrium is presented. By solving a linear system for the…

Modern density functional theory (DFT) calculations employ the Kohn-Sham (KS) system of non-interacting electrons as a reference, with all complications buried in the exchange-correlation energy (Exc). The adiabatic connection formula gives…