Related papers: Ab initio Derivation of Low-Energy Model for $\kap…
A review of the Contractor Renormalization (CORE) method, as a systematic derivation of the low energy effective hamiltonian, is given, with emphasis on its differences and advantages over traditional perturbative (weak/strong links) real…
Heterostructures of transition-metal oxides emerged as a new route to engineer electronic systems with desired functionalities. Motivated by these developments, we study a two-orbital Hubbard model in a thin-film geometry confined along the…
By properly generalizing Nozie`res' Fermi liquid theory, we construct an Hamiltonian approach to the scattering of conduction electrons off a spin-1/2 impurity in the ovescreneed Kondo regime, as T -> 0. We derive the S-matrix at the…
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $\epsilon_{i}$ have a bimodal probability distribution and an energy separation…
A derivation of the t-J model of a highly-correlated solid is given starting from the general many-electron Hamiltonian with account of the non-orthogonality of atomic wave functions. Asymmetry of the Hubbard subbands (i.e. of ``electron''…
We present a framework for analyzing Mott insulators using a material-based tight-binding model. We start with a realistic multiorbital Hubbard model and derive an effective model for the localized electrons through the second-order…
Spin fluctuation-induced superconductivity in quasi-two dimensional organic compounds, \kappa-BEDT-TTF salts, is investigated within a fluctuation exchange (FLEX) approximation using a half-filled Hubbard model with a right-angled isosceles…
We show that backflow correlations in the variational wave function for the Hubbard model greatly improve the previous results given by the Slater-Jastrow state, usually considered in this context. We provide evidence that, within this…
We study how the electron hopping reduces the Mott-Hubbard band gap in the limit of a large Coulomb interaction U and as a function of the orbital degeneracy N. The results support the conclusion that the hopping contribution grows as…
Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model…
The present paper reviews recent achievements on the ab initio determination of effective model Hamiltonians aimed at the description of strongly correlated materials. These models (Heisenberg, $t-J$, extended Hubbard, Kondo, etc) are…
We report a detailed study of a model Hamiltonian which exhibits a rich interplay of geometrical spin frustration, strong electronic correlations, and charge ordering. The character of the insulating phase depends on the magnitude of…
The quarter-filling extended Hubbard model on the triangular lattice is studied to explore pairing instability in the three-fold charge-ordered (CO) metal. We derive a second-order strong-coupling effective Hamiltonian of doped carriers…
We use the constrained random phase approximation (cRPA) to derive from first principles the Ru-$t_{2g}$ Wannier function based model for the Kitaev spin-liquid candidate material $\alpha$-RuCl$_3$. We find the non-local Coulomb repulsion…
We have completed a numerical investigation of the Anderson-Hubbard model for three-dimensional simple cubic lattices using a real-space self-consistent Hartree-Fock decoupling approximation for the Hubbard interaction. In this formulation…
Demonstrating superconductivity in purely repulsive Hubbard models is a compelling goal which underscores the counter-intuitive ability of Coulomb interactions to mediate superconductivity. Here, we present numerical evidence for robust…
In Mott insulators with a half-filled $t_{2g}$ shell the Hund's rule coupling induces a spin-3/2 orbital-singlet ground state. The spin-orbit interaction is not expected to qualitatively impact low-energy degrees of freedom in such systems.…
The magnetic susceptibility of the organic superconductors $\kappa$-(h8 or d8-ET)$_{2}$$X$, $X =$ Cu(NCS)$_{2}$ and Cu[N(CN)$_{2}$]Br has been studied. A metallic phase below $T^{*} =$ 37 $\sim$ 38 K for $X =$ Cu[N(CN)$_{2}$]Br and 46…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
We study a one-dimensional model of interacting conduction electrons with a two-fold degenerate band away from half filling. The interaction includes an on-site Coulomb repulsion and Hund's rule coupling. We show that such one-dimensional…