Related papers: First-principles modelling of molecular single-ele…
Sequential single-electron charging is observed in InAs Self-Assembled Quantum Dots using capacitance spectroscopy. In this system, the Coulomb energy is smaller than the inter-level energy spacings due to the quantum confinement and both…
We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theory, electron transmission is evaluated employing an O(N)…
The purpose of this article is to present an accurate way, based on a physical description, to simulate Coulomb blockade devices. The method underlying the simulations depends only on fundamental parameters of the system and does not…
An electron transport is studied in the system which consists of scanning tunneling microscopy-single molecule magnet-metal. Due to quantum tunneling of magnetization in single-molecule magnet, linear response conductance exhibits stepwise…
Calculating an exact self energy for ab initio transport calculations relevant to ``Molecular Electronics'' can be troublesome. Errors or insufficient approximations made at this step are often the reason why many molecular transport…
A novel approach to the description of superconductors in thermal equilibrium is developed within a formally exact density-functional framework. The theory is formulated in terms of three ``densities'': the ordinary electron density, the…
Metallic nanoparticles offer possibilities to build basic electric devices with new functionality and improved performance. Due to the small volume and the resulting low self-capacitance, each single nanoparticle exhibits a high charging…
We recently introduced a method based on density functional theory (DFT) and non-equilibrium Green's function techniques (NEGF) for calculating the addition energies of single molecule nano-junctions in the Coulomb blockade (CB) regime.…
Images of a single-electron quantum dot were obtained in the Coulomb blockade regime at liquid He temperatures using a cooled scanning probe microscope (SPM). The charged SPM tip shifts the lowest energy level in the dot and creates a ring…
Coherent electronic transport in single-molecule junctions is investigated in the Coulomb blockade regime. Both the transmission phase and probability are calculated for junctions with various contact symmetries. A dramatic suppression of…
We report first principles density functional calculations of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3). Visualization of the Born charge tensors as charge ellipsoids have provided…
We present an experimental and theoretical study of a magnetic single-molecule transistor based on N@C60 connected to gold electrodes. Particular attention is paid to the regime of intermediate molecule-lead coupling, where cotunneling…
We report on a methodology for the treatment of the Coulomb energy and potential in Kohn-Sham density functional theory that is free from self-interaction effects. Specifically, we determine the Coulomb potential given as the functional…
Single-electron pumps based on isolated impurity atoms have recently been experimentally demonstrated. In these devices the Coulomb potential of an atom creates a localised electron state with a large charging energy and considerable…
Disordered granular systems, at temperatures where charging effects are important, are studied, by means of an effective medium approximation. The intragrain charging energy leads to insulating behavior at low temperatures, with a well…
A single molecule break junction device serves as a tunable model system for probing the many body Kondo state. The low-energy properties of this state are commonly described in terms of a Kondo model, where the response of the system to…
We study the effect of the exchange interactions in small superconducting grains near the Coulomb blockade regime. We extend the standard description of the grain in terms of a single collective variable, the charge and its conjugated…
We have fabricated quantum dot single electron transistors, based on AlGaAs/GaAs heterojunctions without modulation doping, which exhibit clear and stable Coulomb blockade oscillations. The temperature dependence of the Coulomb blockade…
We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction (MCBJ) operated at room temperature in liquid. We record the…
This talk is assumed to exhibit an overview of the quantum theory for mesoscopic electric circuits and some of its further developments. In the theory the importance of the discreteness of electronic charge in mesoscopic electric circuit is…