Related papers: Antiferromagnetic order in multi-band Hubbard mode…
In this work I investigate a two-band Hubbard model using the Gutzwiller wavefunction. The tight-binding part of the model was constructed to have a gapless spin-density wave state which leads to Dirac points in the bandstructure, a common…
We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle bands of LaOFeAs. The Fe3d--As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band…
We investigate spin and orbital states of the two-orbital Hubbard model on a square lattice by using a variational Monte Carlo method at quarter-filling, i.e., the electron number per site is one. As a variational wave function, we consider…
We use the Gutzwiller variational many-body theory to investigate the stability of orbitally ordered states in a two-band Hubbard-model without spin degrees of freedom. Our results differ significantly from earlier Hartree-Fock calculations…
We examine the orbital and magnetic order of the two orbital Hubbard model within dynamical mean field theory. The model describes the low energy physics of a partially filled $e_g$-band as can be found in some transition metal compounds.…
Using the generalized Gutzwiller method we present results on the ferromagnetic behavior of extended Hubbard models with two degenerate eg orbitals. We find significant differences to results obtained from Hartree-Fock theory.
The ground-state phase diagrams of the three-orbital t2g Hubbard model are studied using a Hartree-Fock approximation. First, a complete set of multipolar order parameters for t2g models defined in terms of the effective total angular…
The Copper-Oxygen planes in cuprates have been at the center of the search for a theory of high-temperature superconductivity. We conduct an extensive study of the ground state of the three-band Hubbard (Emery) model in the underdoped…
Multi-band Gutzwiller-correlated wave functions reconcile the contrasting concepts of itinerant band electrons versus electrons localized in partially filled atomic shells. The approximate evaluation of these variational ground states…
We have analyzed the symmetry properties and the ground state of an orbital Hubbard model with two orbital flavors, describing a partly filled spin-polarized $e_g$ band on a cubic lattice, as in ferromagnetic manganites. We demonstrate that…
We analyze the itinerant model for antiferromagnetism, which was developed previously by Plischke, Mattis, Brouers and Mizia. In this model we include both; single-site and two-site electron correlations. Including additionally band…
Using the real-space Hartree Fock approximation, the magnetic phase diagram of a five-orbital Hubbard model for the iron-based superconductors is studied varying the electronic density $n$ in the range from 5 to 7 electrons per transition…
We study the correlation effects on the electronic structure and spin density wave order in Fe-pnictides. Using the multiorbital Hubbard model and Gutzwiller projection, we show that nonperturbative correlation effects are essential to…
A model for a Heisenberg antiferromagnet on a pyrochlore lattice with exchange and dipole-dipole interactions is studied via mean-field theory. In treating the dipoles by use of the Ewald method, a soft (critical) mode with a unique…
The magnetic phase diagrams of models for quasi one-dimensional compounds belonging to the iron-based superconductors family are presented. The five-orbital Hubbard model and the real-space Hartree-Fock approximation are employed,…
We study itinerant ferromagnetism in a $t_{2g}$ multi-orbital Hubbard system in the cubic lattice, which consists of three planar oriented orbital bands of $d_{xy}$, $d_{yz}$, and $d_{zx}$. Electrons in each orbital band can only move…
Multi-band Gutzwiller-correlated wave functions reconcile the contrasting concepts of itinerant band electrons versus electrons localized in partially filled atomic shells. The exact evaluation of these variational ground states in the…
Keeping nickel, cobalt and iron in mind, we investigate the origin of the itinerant ferromagnetism. In so doing, we generalize the Gutzwiller approximation. In that,we take account of the effect of the band degeneracy and the Hund's-rule…
It is becoming widely recognized that, contrary to earlier expectations, the usual one-band Hubbard model does not give an explanation for itinerant ferromagnetism. After reviewing the status of magnetic ordering in the one-band model, we…
The Gutzwiller technique has long been known as a method to include correlations in electronic structure calculations. Here we implement an ab-initio Gutzwiller+LDA calculation, and apply it to a classic problem, the ferromagnetism of bulk…