Related papers: A magnetic tight-binding model: correlations in fe…
We study the importance of interband effects on the orbital susceptibility of three bands $\alpha$-${\cal T}_3$ tight-binding models. The particularity of these models is that the coupling between the three energy bands (which is encoded in…
We report a correlation between the spin polarization of the tunneling electrons (TSP) and the magnetic moment of amorphous CoFeB alloys. Such a correlation is surprising since the TSP involves s-like electrons close to the Fermi level…
Conductivity is one of the most direct probes of electronic systems, yet its theoretical description remains challenging in the presence of strong non-local correlations. In this Letter, we analyze the conductivity of the half-filled…
Fermi-surface deformations in strongly correlated metals, in comparison to results from band-structure calculations, are investigated. We show that correlation-induced interband charge transfers in multi-orbital systems may give rise to…
We consider the proximity effects in hybrid superconductor (S) - ferromagnet (F) structures drawing attention to the induced ferromagnetism of the S metal. The analysis is based on a quasiclassical theory of proximity effect for metals in…
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in…
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…
Tight-binding models provide great insight and are a low-cost alternative to \emph{ab initio} methods for calculation of a material's electronic structure. These models are used to calculate optical responses, including nonlinear optical…
We study the effect of Coulomb correlations on the ultrafast optical dynamics of small metal particles. We demonstrate that a surface-induced dynamical screening of the electron-electron interactions leads to quasiparticle scattering with…
Determinant Quantum Monte Carlo (DQMC) is used to study the effect of non-zero hopping t_f in the localized f-band of the periodic Anderson model (PAM) in two dimensions. The low temperature properties are determined in the plane of…
One presented some lattice models, while the theoretic derivation has not been found, and the importance of correlation effects has to be emphasized. On the basis of the non-relativistic Hamiltonian from the Dirac equation, we derive in…
Despite its widespread use, the predictive accuracy of density functional theory (DFT) is hampered by delocalization errors, especially for correlated systems such as transition-metal complexes. Two complementary tuning strategies have been…
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 metal-insulator transition within the s-d exchange model is studied by the Dynamical Mean Field Theory and Dual Fermion approaches. The latter takes into account nonlocal correlation effects which are shown to be essential. In…
In this paper we present a paradigmatic tight-binding model for single-layer as well as for multi-layered semiconducting MoS$_2$ and similar transition metal dichalcogenides. We show that the electronic properties of multilayer systems can…
The infinite-dimensional Hubbard model is studied by means of a modified perturbation theory. The approach reduces to the iterative perturbation theory for weak coupling. It is exact in the atomic limit and correctly reproduces the…
A strong effort will be dedicated in the coming years to extend the reach of ab initio nuclear-structure calculations to heavy doubly open-shell nuclei. In order to do so, the most efficient strategies to incorporate dominant many-body…
A theory describing above-threshold ionization of atoms and ions in a strong electromagnetic field is presented. It is based on the widely known strong field approximation and incorporates the Coulomb interaction between the photoelectron…
A metal-insulator transition was induced by in-plane magnetic fields up to 27 T in homogeneously Sb-doped Si/SiGe superlattice structures. The localisation is not observed for perpendicular magnetic fields. A comparison with…
The high-transition-temperature (high-Tc) superconductivity discovered recently in iron pnictides is analyzed within a perturbation theory. Specifically, the probable pairing symmetry, the doping dependence of the transition temperature and…