Related papers: Towards a description of the Kondo effect using ti…
We study the Kondo effect and related transport properties in orbitally degenerate vertical quantum dot systems with plural electrons. Applying the non-crossing approximation to the three-orbital Anderson impurity model with the finite…
We propose a first-principles time-dependent density functional theoretical (TDDFT) approach in momentum (P) space for quantitative study of electron transport in molecular devices under arbitrary biases. In this approach, the basic…
We consider the physics of transport through quantum dots in the presence of two tunneling paths. The first path sees electrons hopping on and off the dot while the second path is modeled through a potential scattering-like term. To study…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
We discuss the temperature-dependent thermoelectric transport properties of semiconductor nanostructures comprising a quantum dot coupled to quantum wires: the thermal dependence of the electrical conductance, thermal conductance, and…
Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating various properties of solids as, for instance, the total energy, the electron density, or the electronic band structure. The KS-DFT method leads to…
Finite-temperature Kohn--Sham density-functional theory (KS-DFT) is a widely-used method in warm dense matter (WDM) simulations and diagnostics. Unfortunately, full KS-DFT-molecular dynamics models scale unfavourably with temperature and…
We analyze ultrafast tunneling experiments in which electron transport through a localized orbital is induced by a single cycle THz pulse. We include both electron-electron and electron-phonon interactions on the localized orbital using the…
We observe a strong Kondo effect in a semiconductor quantum dot when a small magnetic field is applied. The Coulomb blockade for electron tunneling is overcome completely by the Kondo effect and the conductance reaches the unitary-limit…
Time-dependent density functional theory is extended to include dissipative systems evolving under a master equation, providing a Hamiltonian treatment for molecular electronics. For weak electric fields, the isothermal conductivity is…
Recently there has been a resurgence of intense experimental and theoretical interest on the Kondo physics of nanoscopic and mesoscopic systems due to the possibility of making experiments in extremely small samples. We have carried out…
We present a density-functional theory (DFT) approach to the study of the phase diagram of the maximum density droplet (MDD) in two-dimensional quantum dots in a magnetic field. Within the lowest Landau level (LLL) approximation, analytical…
One of the greatest challenges when designing new technologies that make use of non-trivial quantum materials is the difficulty associated with predicting material-specific properties, such as critical temperature, gap parameter, etc. There…
The Kondo effect may be observable in some atom-surface scattering experiments, in particular, those involving alkaline-earth atoms. By combining Keldysh techniques with the NCA approximation to solve the time-dependent Newns-Anderson…
We use analytic (current) density-potential maps of time-dependent (current) density functional theory (TD(C)DFT) to inverse engineer analytically solvable time-dependent quantum problems. In this approach the driving potential (the control…
Using a time-dependent Anderson Hamiltonian, a quantum dot with an ac voltage applied to a nearby gate is investigated. A rich dependence of the linear response conductance on the external frequency and driving amplitude is demonstrated. At…
We present a general description of low temperature transport through a quantum dot with any number of electrons at filling factor $1<\nu <2$. We provide a general description of a novel Kondo effect which is turned on by application of an…
Real-time time-dependent density functional theory (RT-TDDFT) can in principle access the whole absorption spectrum of a many-electron system exposed to a narrow pulse. However, this requires an accurate and efficient propagator for the…
The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of…
The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…