Related papers: On the use of a single site approximation to descr…
Chromium dioxide (CrO2) offers a rare example of metallic ferromagnetism among stoichiometric transition-metal oxides. What makes it even more remarkable is the half-metallic electronic structure. Today, CrO2 is widely used in…
The complex electronic structure of metallic ferromagnets is determined by a balance between exchange interaction, electron hopping leading to band formation, and local Coulomb repulsion. The interplay between the respective terms of the…
We present the results of numerical studies for selected materials with strongly correlated electrons using a combination of the local-density approximation and dynamical mean-field theory (DMFT). For the solution of the DMFT equations a…
Some Bravais lattices have a particular geometry that can slow down the motion of Bloch electrons by pre-localization due to the band-structure properties. Another known source of electronic localization in solids is the Coulomb repulsion…
Nanostructures with open shell transition metal or molecular constituents host often strong electronic correlations and are highly sensitive to atomistic material details. This tutorial review discusses method developments and applications…
We study a two-band Hubbard model using the dynamical mean-field theory combined with the exact diagonalization method. At the electron density $n=2$, a transition from a band-insulator to a correlated semimetal occurs when the on-site…
We consider a strong coupling expansion for a two-band Hubbard model on two sites with nearly degenerate states. A comparative analysis is performed for different schemes of perturbation theory which are applicable to systems with nearly…
The ferromagnetic transition in a diluted magnetic semiconductor with localized charge carriers is inevitably a percolation transition. In this work we theoretically study the correlation between this magnetic percolation and transport…
We present an ab initio quantum theory of the finite temperature magnetism of iron and nickel. A recently developed technique which combines dynamical mean-field theory with realistic electronic structure methods, successfully describes the…
The LDA+DMFT (local density approximation combined with dynamical mean-field theory) computation scheme has been used to study spectral and magnetic properties of FeSi and Fe$_{1-x}$Co$_{x}$Si. Having compared different models we conclude…
Easy physics-inspired approximations of the total and binding energies for the ${\rm H}$ atom and for the molecular ions $${\rm H}_2^{(+)} ({\rm ppe}), {\rm H}_3^{(2+)} ({\rm pppe}), ({\rm HeH})^{++} (\al {\rm p e}), {\rm He}_2^{(3+)} (\al…
Thin film magnetic heterostructures with competing interfacial coupling and Zeeman energy pro- vide a fertile ground to study phase transition between different equilibrium states as a function of external magnetic field and temperature. A…
A unified treatment of the cohesive and conducting properties of metallic nanostructures in terms of the electronic scattering matrix is developed. A simple picture of metallic nanocohesion in which conductance channels act as delocalized…
We found that magnetic ground state of one-dimensional atomic chains of carbon-transition metal compounds exhibit half-metallic properties. They are semiconductors for one spin-direction, but show metallic properties for the opposite…
We consider a small metallic grain coupled to a superconductor by a tunnel contact. We study the interplay between proximity and charging effects in the presence of the external magnetic field. Employing the adiabatic approximation we…
We study the effect of Coulomb interactions in transition metal oxides junctions. In this paper we analyze charge transfer at the interface of a three layer ferromagnetic-paramagnetic-ferromagnetic metallic oxide system. We choose a charge…
We discuss a metal-insulator transition caused by random couplings of magnetic moments in itinerant systems. An analytic solution for the single particle Green function is derived from dynamical self consistency equations, the corresponding…
The theoretical description and the survey of physical properties of superconducting states in the uranium ferromagnetic materials are presented. On the basis of microscopic theory is shown that the coupling between the electrons in these…
Covalent molecules are characterized by directed bonds, which provide stability-of-form to the molecules relative atomic positions. In contrast, bulk metals are characterized by delocalized bonds, where a large number of resonance…
Electrons in condensed matter may transition into a variety of broken-symmetry phase states due to electron-electron interactions. Applying diverse mean-field approximations to the interaction term is arguably the simplest way to identify…