Related papers: What about U on Surfaces? - Extended Hubbard Model…
We give a summary of recent progress in the field of electronic structure calculations for materials with strong electronic Coulomb correlations. The discussion focuses on developments beyond the by now well established combination of…
We present a new ab initio method for calculating effective onsite Coulomb interactions of itinerant and strongly correlated electron systems. The method is based on constrained local density functional theory formulated in terms of…
We study the one- and two- dimensional extended Hubbard model by means of the Composite Operator Method within the 2-pole approximation. The fermionic propagator is computed fully self-consistently as a function of temperature, filling and…
We develop a self-consistent first-principles framework for determining the screened Coulomb interaction strength (U) based on constrained dynamical mean-field theory (cDMFT). Unlike conventional approaches, this method incorporates…
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…
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the GW…
The low-energy theory of interacting electrons on graphene's two-dimensional honeycomb lattice is derived and discussed. In particular, the Hubbard model in the large-N limit is shown to have a semi-metal - antiferromagnetic insulator…
We determine the quantum phase diagram of the one-dimensional Hubbard model with bond-charge interaction X in addition to the usual Coulomb repulsion U at half-filling. For large enough X and positive U the model shows three phases. For…
We report nonresonant inelastic x-ray scattering from the semi-core 5d levels of several actinide compounds. Dipole-forbidden, high-multipole features form a rich bound-state spectrum dependent on valence electron configuration and…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
Electronic phase behavior in correlated-electron systems is a fundamental problem of condensed matter physics. We argue here that the change in the phase behavior near the surface and interface, i.e., {\em electronic reconstruction}, is the…
The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the `standard model' of condensed matter physics. The model has been remarkably…
Effects of short-range correlations on the Coulomb screening, the phonons, and the pairing interactions are examined in electron-phonon systems. First, we derive a model Hamiltonian of Coulomb interactions which includes both the long-range…
Multipole representation is proposed for the anisotropic Coulomb interactions in solids. Any local interactions can be expressed as the product of two multipole operators, and the interaction parameters are systematically classified based…
The model of a strongly correlated system in which periodically spaced Anderson-Hubbard centers are introduced into narrow-band metal is considered. Besides the interactions between localized magnetic moments and strong on-site Coulomb…
The interplay between electronic correlations and band topology is a central theme in modern condensed matter physics. In this work, we investigate the effects of on-site Hubbard interactions on the topological, magnetic, and quantum…
A distinctive feature of layered conductors is the presence of low-energy electronic collective modes of the conduction electrons. This affects the dynamic screening properties of the Coulomb interaction in a layered material. We study the…
Spontaneous charge ordering occurring in correlated systems may be considered as a possible route to generate effective lattice structures with unconventional couplings. For this purpose we investigate the phase diagram of doped extended…
The Hubbard model on the Kagome lattice is a widely used interacting model for describing the electronic properties of various transition metal-based Kagome materials. We find altermagnetism driven by Coulomb interaction in the Kagome…
The electronic structure of the $(2\sqrt{2}\times\sqrt{2})R45^{\circ}$ O/Cu(001) system has been calculated using locally self-consistent, real space multiple scattering technique based on first principles. Oxygen atoms are found to perturb…