Related papers: Predicting the conductance of strongly correlated …
We study the current through a quantum wire side coupled to a quantum dot, and compare it with the case of an embedded dot. The system is modeled by the Anderson Hamiltonian for a linear chain, with one atom either coupled to (side-dot) or…
We study transport through two quantum dots coupled by an RKKY interaction as a function of temperature and magnetic field. By applying the Numerical Renormalization Group (NRG) method we obtain the transmission and the linear conductance.…
We consider a triple-quantum-dot (TQD) system composed by an interacting quantum dot connected to two effectively non-interacting dots, which in turn are both connected in parallel to metallic leads. As we show, this system can be mapped…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
Transport through molecular magnets is studied in the regime of strong coupling to the leads. We consider a resonant-tunneling model where the electron spin in a quantum dot or molecule is coupled to an additional local, anisotropic spin…
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…
Recently, a series of noncentrosymmetric superconductors has been a subject of considerable interest since the discovery of superconductivity in CePt_3Si. In noncentrosymmetric materials, the degeneracy of bands is lifted in the presence of…
We investigate theoretically and experimentally the singlet-triplet Kondo effect induced by a magnetic field in a molecular junction. Temperature dependent conductance, $G(T)$, is calculated by the numerical renormalization group, showing a…
We investigate the transport through a nanoscale device consisting of a degenerate double-orbital Anderson dot coupled to two uncorrelated leads. We determine the thermoelectric transport properties close to the one-electron regime and…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…
We compare different approximation schemes for investigating ferromagnetism in the periodic Anderson model. The use of several approximations allows for a detailed analysis of the implications of the respective methods, and also of the…
Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…
We apply the functional renormalization group (FRG) method to calculate the conductance of a quantum dot in the Kondo regime. Starting from the exact FRG equations in Keldysh formulation for the Kondo exchange Hamiltonian in pseudo-fermion…
Iron, cobalt and nickel are archetypal ferromagnetic metals. In bulk, electronic conduction in these materials takes place mainly through the $s$ and $p$ electrons, whereas the magnetic moments are mostly in the narrow $d$-electron bands,…
We calculate the temperature dependence of the transport properties of heavy-fermion systems such as resistivity, optical conductivity, thermoelectric power, the electronic part of the thermal conductivity, and the "figure of merit." The…
The system of several (N) quantum dots coupled in parallel to the same single-mode conduction channel can be modelled as a single-channel N-impurity Anderson model. Using the generalized Schrieffer-Wolff transformation we show that near the…
Based on the matrix Green's function method combined with hybrid tight-binding / density functional theory, we calculate the conductances of a series of gold-dithiol molecule-gold junctions including benzenedithiol (BDT),…
We study the spectral density of electrons rho in an interacting quantum dot (QD) with a hybridization lambda to a non-interacting QD, which in turn is coupled to a non-interacting conduction band. The system corresponds to an impurity…
We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to…
To develop next-generation electronics and high efficiency energy-harvesting devices, it is crucial to understand how charge and heat are transported at the nanoscale. Metallic atomic-size contacts are ideal systems to probe the quantum…