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We present a theoretical analysis of the effect of dielectric confinement on the Coulomb interaction in dielectrically modulated quantum structures. We discuss the implications of the strong enhancement of the electron-hole and…
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separate adsorbate from substrate, these methods can achieve a…
A consequence of the disorder and Coulomb interaction competition is the electron-glass phase observed in several Anderson-insulators. The disorder in these systems, typically degenerate semiconductors, is stronger than the interaction,…
We employ the dynamical mean-field approximation to study the magnetic properties of a model relevant for the dilute magnetic semiconductors. Our model includes the spin-orbit coupling on the hole bands, the exchange interaction, and the…
Electronic structure of the transition metal (TM) dopants in ZnO is calculated by first principles approach. Analysis of the results is focused on the properties determined by the intrashell Coulomb coupling. The role of both direct and…
The Mott transition is a paradigmatic phenomenon where Coulomb interactions between electrons drive a metal-insulator phase transition. It is extensively studied within the Hubbard model, where a quantum critical transition occurs at a…
First principles constrained density functional theory scheme in Wannier functions formalism has been used to calculate Coulomb repulsion U and Hund's exchange J parameters for iron 3d electrons in LaFeAsO. Results strongly depend on the…
Dynamical mean field theory combined with finite-temperature exact diagonalization is shown to be a suitable method to study local Coulomb correlations in realistic multi-band materials. By making use of the sparseness of the impurity…
We study the relation between quantum pumping of charge and the work exchanged with the driving potentials in a strongly interacting ac-driven quantum dot. We work in the large-interaction limit and in the adiabatic pumping regime, and we…
We study spin-entanglement of the quasiparticles of the local Fermi liquid excited in nonlinear current through a quantum dot described by the Anderson impurity model with two degenerate orbitals coupled to each other via an exchange…
Using mean-field theory, we illustrate the long-range Coulomb effect on the antiferromagnetism in the electron-doped cuprates. Because of the Coulomb exchange effect, the magnitude of the effective next nearest neighbor hopping parameter…
We perform analysis of the band structure, phonon dispersion, and electron-phonon interactions in three types of small-radius carbon nanotubes. We find that the (5,5) can be described well by the zone-folding method and the electron-phonon…
The transport of fluids at the nanoscale is fundamental to manifold biological and industrial processes, ranging from neurotransmission to ultrafiltration. Yet, it is only recently that well-controlled channels with cross-sections as small…
We have investigated the crystal, electronic, and magnetic structure of Mn5O8 by means of state of-the-art density functional theory calculations and neutron powder diffraction (NPD) measurements. This compound stabilizes in the monoclinic…
The influence of a nearest-neighbor Coulomb repulsion of strength V on the properties of the Ferromagnetic Kondo model is analyzed using computational techniques. The Hamiltonian studied here is defined on a chain using localized S=1/2…
We study exchange coupling due to the interelectron Coulomb interaction between two ferromagnetic grains embedded into insulating matrix. This contribution to the exchange interaction complements the contribution due to virtual electron…
Effects of electron correlation on the Fermi surface is investigated for the two-dimensional Hubbard model by the quantum Monte Carlo method. At first, an infinitesimal doping from the half filling is focused on and the momentum dependent…
Using a numerically exact first-principles many-body approach, we revisit the "prototypical" Kondo case of a cobalt impurity on copper. Even though this is considered a well understood example of the Kondo effect, we reveal an unexpectedly…
Dynamical screening of the Coulomb interactions in correlated electron systems results in a low-energy effective problem with a dynamical Hubbard interaction U(omega). We propose a Green's function ansatz for the Anderson impurity problem…
We report on our study of the electron interaction effects in topological two-dimensional (2D) materials placed in a quantizing magnetic field. Taking our cue from a recent experimental report, we consider a particular case of bismuthene…