Related papers: Multipolar ordering in the three-orbital Hubbard m…
We perform extensive auxiliary-field quantum Monte Carlo (AFQMC) calculations for the three-band Hubbard (Emery) model in order to study the ground-state properties of Copper-Oxygen planes in the cuprates. Employing cutting-edge AFQMC…
We solve the orbitally degenerate two-band Hubbard model within dynamical mean field theory and map out the instabilities to various symmetry-broken phases based on an analysis of the corresponding lattice susceptibilities. Phase diagrams…
The ground-state magnetic phase diagram is calculated within the Hubbard and $s$-$d$ exchange (Kondo) models for square and simple cubic lattices vs. band filling and interaction parameter. The difference of the results owing to the…
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase…
The one-band Hubbard model at half-filling on a truncated tetrahedron (C$_{12}$), and on the C$_{60}$ molecule is studied. Within the Hartree-Fock approximation, we find a magnetic-like instability of the `Fermi sea' towards a spin-ordered…
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 use unrestricted Hartree-Fock, density matrix renormalization group, and variational projected entangled pair state calculations to investigate the ground state phase diagram of the triangular lattice Hubbard model at "half doping"…
Triangular-lattice systems attract a lot of attention due to various frustration-induced and strongly correlated effects. Here, we focus on the charge-ordering phenomenon by means of investigation of the extended Hubbard model with…
The electronic states of the two-dimensional Hubbard model are investigated by means of a 4-pole approximation within the Composite Operator Method. In addition to the conventional Hubbard operators, we consider other two operators which…
We study the symmetry-broken phases in two- and three-orbital Hubbard models with lifted orbital degeneracy using dynamical mean field theory. On the technical level, we explain how symmetry relations can be exploited to measure the…
We present a stability analysis of the 2D t-t' Hubbard model on a square lattice for various values of the next-nearest-neighbor hopping t' and electron concentration. Using the free energy expression, derived by means of the flow equations…
The tetragonal heavy fermion compound CeRh2As2 has intriguing low temperature symmetry breaking phases whose nature is unclear. The unconventional superconducting phase is complemented by other normal state phases which presumably involve…
We investigate the ground-state properties of a one-dimensional $t_{\rm 2g}$-orbital Hubbard model including an atomic spin-orbit coupling by using numerical methods, such as Lanczos diagonalization and density-matrix renormalization group.…
We determine the ground-state phase diagram of the three-band Hubbard model across a range of model parameters using density matrix embedding theory. We study the atomic-scale nature of the antiferromagnetic (AFM) and superconducting (SC)…
We study a one-dimensional extended Hubbard model with longer-range Coulomb interactions at quarter-filling in the strong coupling limit. We find two different charge-ordered ground states as the strength of the longer range interactions is…
We consider an extended Hubbard model of interacting fermions on a lattice. The fermion kinetic energy corresponds to a tight binding Hamiltonian with nearest neighbour (-t) and next nearest neighbour (t') hopping matrix elements. In…
In strongly correlated multi-orbital systems, various ordered phases appear. In particular, the orbital order in iron-based superconductors attracts much attention since it is considered to be the origin of the nematic state. In order to…
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…
Motivated by recent experimental progress in transition metal oxides with the K$_2$NiF$_4$ structure, we investigate the magnetic and orbital ordering in $\alpha$-Sr$_2$CrO$_4$. Using first principles calculations, first we derive a…
Using the formalism of pseudospin and isospin operators the Hamiltonian of an effective Kugel-Khomskii model with spin-orbit coupling is derived with an exact account of the $t_{2g}$ multiplet splitting by the crystal field. An analytical…