Related papers: Staggered ordered phases in the three-orbital Hubb…
We use determinant quantum Monte Carlo to study the half-filled `bond-Holstein' model on a square lattice. We find that the model exhibits a charge-density-wave (CDW) phase transition with a critical temperature $T_\mathrm{cdw}$…
We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy…
The order parameters of the magnetic, charge and structural orders at half-doped manganites are identified. A corresponding Landau theory of the phase transitions is formulated. Many structural and thermodynamical behaviors are accounted…
We have investigated the antiferromagnetic phase of the 2D, the 3D and the extended Hubbard models on a bipartite cubic lattice by means of the Composite Operator Method within a two-pole approximation. This approach yields a fully…
We investigate the violation of the first Hund's rule in 4$d$ and 5$d$ transition metal oxides that form solids of dimers. Bonding states within these dimers reduce the magnetization of such materials. We parametrize the dimer formation…
Ground state magnetic phase diagrams of the square and simple cubic lattices are investigated for the narrow band Hubbard model within the slave-boson approach by Kotliar and Ruckenstein. The transitions between saturated (half-metallic)…
We derive an effective Hamiltonian for the one-dimensional Hubbard-Holstein model, valid in a regime of both strong electron-electron (e-e) and electron-phonon (e-ph) interactions and in the non-adiabatic limit ($t/\omega_0 \leq 1$), by…
Motivated by the complex behavior of the frustrated magnet $\beta$-TeVO$_4$, we study an anisotropic Heisenberg model for coupled spin-$1/2$ zigzag chains. Using cluster mean field approach to capture quantum correlations we find, upon…
We study the effects of temperature and magnetic field on a two-orbital Hubbard model within dynamical mean field theory. We focus on the quarter filled system, which is a special point in the phase diagram due to orbital degeneracy. At…
We develop a cluster dynamical mean field theory of the periodic Anderson model in three dimensions, taking a cluster of two sites as a basic reference frame. The mean field theory displays the basic features of the Doniach phase diagram: a…
Recent refinements of analytical and numerical methods have improved our understanding of the ground-state phase diagram of the two-dimensional (2D) Hubbard model. Here we focus on variational approaches, but comparisons with both Quantum…
By means of the dynamical vertex approximation (D$\Gamma$A) we include spatial correlations on all length scales beyond the dynamical mean field theory (DMFT) for the half-filled Hubbard model in three dimensions. The most relevant changes…
The magnetic structure of antiferromagnetically ordered phases of quasi-one-dimensional organic conductors is studied theoretically at absolute zero based on the mean field approximation to the quarter-filled band with on-site and…
We study magnetic phases of two-component mixtures of ultracold fermions with repulsive interactions in optical lattices in the presence of both hopping and population imbalance by means of dynamical mean-field theory (DMFT). It is shown…
The Holstein model is a paradigmatic description of the electron-phonon interaction, in which electrons couple to local dispersionless phonon modes, independent of momentum. The model has been shown to host a variety of ordered ground…
Motivated by the recent experimental evidence of commensurate surface charge density waves (CDW) in Pb/Ge(111) and Sn/Ge(111) sqrt{3}-adlayer structures, as well as by the insulating states found on K/Si(111):B and SiC(0001), we have…
Using an optimization variational Monte Carlo method, we study the half-filled-band Hubbard model on anisotropic triangular lattices, as a continuation of the preceding study [J. Phys. Soc. Jpn 75, 074707 (2006)]. We introduce two new trial…
The frustrated triangular Ising magnet Ca$_3$Co$_2$O$_6$ has long been known for an intriguing combination of extremely slow spin dynamics and peculiar magnetic orders, such as the evenly-spaced non-equilibrium metamagnetic magnetization…
The dual-fermion approach offers a way to perform diagrammatic expansion around the dynamical mean-field theory. Using this formalism, the influence of antiferromagnetic fluctuations on the self-energy is taken into account through…
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to…