The Generalized Gutzwiller Method for n=>2 Correlated Orbitals: Itinerant Ferromagnetism in eg-bands

In the present paper we study some correlation effects in a generalized Hubbard model with correlated hopping within low-temperature region using a generalized mean-field approximation. It is shown that in a series of cases the model leads to consequences deviating essentially from those of the Hubbard model. We consider the possibility of applying the result to interpret the peculiarities of physical properties of systems with narrow energy bands.

In the present work ferromagnetic ordering in the Hubbard model generalized by taking into account the inter-atomic exchange interaction and correlated hopping in partially filled narrow band is considered. In the case of weak electron-electron interaction the ground state energy and condition of ferromagnetic state realization are found using the Green function technique. The obtained results indicate the important role of correlated hopping.

We introduce in detail our newly developed \textit{ab initio} LDA+Gutzwiller method, in which the Gutzwiller variational approach is naturally incorporated with the density functional theory (DFT) through the "Gutzwiller density functional theory (GDFT)" (which is a generalization of original Kohn-Sham formalism). This method can be used for ground state determination of electron systems ranging from weakly correlated metal to strongly correlated insulators with long-range or...

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 discuss the possibility of ferromagnetism in some recently introduced two-band Hubbard models, and in generalized Anderson lattices. It is argued that these two classes of models are closely related and that it is their common feature that t...

A new variational method is developed to calculate the ground state energy of Fermi systems with strong short-range correlations. A trial wave function of Gutzwiller's type contains additional variational parameters corresponding to configurations of pairs of nearest-neighbor sites. To evaluate the ground state energy, generalized Kikuchi's pseudo-ensemble method is used. The Hubbard model at half band-filling is investigated. The ground state energy of the paramagnetic phase...

We extend our previous approach (Eur. Phys. J. B, \textbf{74}, 63(2010)) to modeling correlated electronic states and the metal-insulator transition by applying the so-called \emph{statistically consistent Gutzwiller approximation} (SGA) to carry out self-consistent calculations of the renormalized single-particle Wannier functions in the correlated state. The transition to the Mott-Hubbard insulating state at temperature T=0 is of weak first order even if antiferromagnetism ...

We study the Gutzwiller method for the spinless fermion model in one dimension, which is one of the simplest models that incorporates the intersite Coulomb interaction. The Gutzwiller solution of this model has been studied in the literature but with differing results. We obtain the Gutzwiller solution of the problem by a careful enumeration of the many-particle configurations and explain the origin of the discrepancy in the literature to be due to the neglect of the correlat...

We present a method to compute pairing fluctuations on top of the Gutzwiller approximation (GA). Our investigations are based on a charge-rotational invariant GA energy functional which is expanded up to second order in the pair fluctuations. Equations of motion for the fluctuations lead to a renormalized ladder type approximation. Both spectral functions and corrections to static quantities, like the ground-state energy, are computed. The quality of the method is examined fo...

The Hubbard model is the simplest model of interacting fermions on a lattice and is of similar importance to correlated electron physics as the Ising model is to statistical mechanics or the fruit fly to biomedical science. Despite its simplicity, the model exhibits an incredible wealth of phases, phase transitions, and exotic correlation phenomena. While analytical methods have provided a qualitative description of the model in certain limits, numerical tools have shown impr...

We present the exact ground-state wave function and energy of the generalized Hubbard model, subjected to the condition that the number of double occupied sites is conserved, for a wide, physically relevant range of parameters. For one hole and one double occupied site the existence of the ferromagnetic ground-state is proved which allow one to determine the critical value of the on-site repulsion corresponding to the point of metal-insulator transition. For the one dimension...