Related papers: The Generalized Gutzwiller Method for n=>2 Correla…
We develop a diagrammatic method for the evaluation of general multi-band Gutzwiller wave functions in finite dimensions. Our approach provides a systematic improvement of the widely used Gutzwiller approximation. As a first application we…
We have generalized the Gutzwiller method to the cases of n=>2 correlated bands and report studies on a degenerate two-band model with Hund's rule type on-site interactions. At half band filling the metal-insulator transitions are usually…
In this tutorial presentation, we give a comprehensive introduction into the Gutzwiller variational approach and its merger with the density functional theory. The merits of this method are illustrated by a discussion of results for…
We formulate a multi-band generalisation of the time-dependent Gutzwiller theory. This approach allows for the calculation of general two-particle response functions, which are crucial for an understanding of various experiments in…
We investigate the orbital selective Mott transition in two-band Hubbard models by means of the Gutzwiller variational theory. In particular, we study the influence of a finite local hybridisation between electrons in different orbitals on…
The iterative perturbation theory of the dynamical mean field theory is generalized to arbitrary electron occupation in case of multi-orbital Hubbard bands. We present numerical results of doubly degenerate Eg bands in a simple cubic…
We investigate multi-band Hubbard models for the three iron 3$d$-$t_{2g}$ bands and the two iron 3$d$-$e_g$ bands in ${\rm La O Fe As}$ by means of the Gutzwiller variational theory. Our analysis of the paramagnetic ground state shows that…
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…
Recent observations of quantum anomalous Hall effects in moir\'e systems have revealed the emergence of interaction-driven ferromagnetism with significant orbital contributions. To capture this physics, we extend the modern theory of…
The multi-band Gutzwiller method, combined with calculations based on density functional theory, is employed to study total energy curves of the ferromagnetic ground state of Ni. A new method is presented which allows flow of charge between…
We study itinerant ferromagnetism in multi-orbital Hubbard models in certain two-dimensional square and three-dimensional cubic lattices. In the strong coupling limit where doubly occupied orbitals are not allowed, we prove that the fully…
We derive expressions required in generalizing the Gutzwiller approximation to models comprising arbitrarily degenerate localized orbitals.
We measure the band structure of nickel along various high-symmetry lines of the bulk Brillouin zone with angle-resolved photoelectron spectroscopy. The Gutzwiller theory for a nine-band Hubbard model whose tight-binding parameters are…
We develop a gauge-independent perturbation theory for the grand potential of itinerant electrons in two-dimensional tight-binding models in the presence of a perpendicular magnetic field. At first order in the field, we recover the result…
Degenerate Hubbard models are studied using the Generalized-Gutzwiller-Approximation. It is found that the metal-insulator transition occurs at a finite correlation $U_c$ when the average number of electrons per lattice site is an integer.…
To understand effects of orbital degeneracy on magnetism, in particular effects of Hund's rule coupling, we study the two-orbital Hubbard model on a square lattice by a variational Monte Carlo method. As a variational wave function, we…
In order to resolve the long-standing issue of how the itinerant ferromagnetism is affected by the lattice structure and Hund's coupling, we have compared various three-dimensional lattice structures in the single- and multiorbital Hubbard…
We develop an extension of the Gutzwiller Approximation (GA) formalism that includes the effects of Coulomb interactions of arbitrary range (including density density, exchange, pair hopping and Coulomb assisted hopping terms). This…
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…
Magnetic and thermodynamical properties of itinerant-electron (metallic) ferromagnets described by the Hubbard model have been discussed with the use of the generalized Fermi-Dirac (GFD) distribution for nonextensive quantum systems. We…