Related papers: Staggered ordered phases in the three-orbital Hubb…
We provide a comprehensive theory of magnetic phases in two-dimensional triangulene crystals, using both Hubbard model and density functional theory (DFT) calculations. We consider centrosymmetric and non-centrosymmetric triangulene…
We present a theoretical analysis of the temperature-magnetic field-concentration phase diagram of the multiferroic Mn$_{1-x}$M$_{x}$WO$_{4}$ (M=Fe, Zn, Mg), which exhibits three ordered phases, with collinear and non-collinear…
We establish the phase diagram of the Hubbard model on a cubic lattice for a wide range of temperatures, dopings and interaction strengths, considering both commensurate and incommensurate magnetic orders. We use the dynamical mean-field…
We analyze the competition between antiferromagnetism and superconductivity in the two-dimensional Hubbard model by combining a functional renormalization group flow with a mean-field theory for spontaneous symmetry breaking. Effective…
Predicting the compositional phase stability of strongly correlated electron materials is an outstanding challenge in condensed matter physics. In this work, we employ the DFT+U formalism to address the effects of local correlations due to…
Using the Lanczos exact-diagonalization and density-matrix renormalization group methods, we study the extended Hubbard model at quarter filling defined on the anisotropic triangular lattice. We focus on charge ordering (CO) phenomena…
We study the 3D anisotropic Hubbard model on a cubic lattice with hopping parameter $t$ in the $x$- and $y$-directions and a possibly different hopping parameter $t_z$ in the $z$-direction; this model interpolates between the 2D and 3D…
Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Cl, we investigate magnetic and charge-ordered phases that emerge in an…
Within the framework of the $s$-$d(f)$ exchange model in the mean-field approximation for square, simple cubic, body-centered and face-centered cubic lattices, the formation of a ferromagnetic, spiral, and commensurate antiferromagnetic…
We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory…
Density of states, dynamic (optical) conductivity and phase diagram of paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean-field theory (DMFT+Sigma…
The field-induced antiferromagnetic (AFM) ordering in the $d_{x^2-y^2}$-paired superconducting phase, which has been recently found in the weak-coupling approach as a basic mechanism due to the Pauli paramagnetic pair-breaking (PPB) in…
We study the interacting Fermi-Hubbard model in two spatial dimensions with synthetic gauge coupling of the spin orbit Rashba type, at half-filling. Using real space mean field theory, we numerically determine the phase as a function of the…
The spin density wave instabilities in the quasi-one-dimensional metal (TMTSF)_2ClO_4 are studied in the framework a matrix random phase approximation for intra-band and inter-band order parameters. Depending on the anion ordering potential…
We use an unbiased, continuous-time quantum Monte Carlo method to address the possibility of a zero-temperature phase without charge-density-wave (CDW) order in the Holstein and, by extension, the Holstein-Hubbard model on the half-filled…
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…
Ground state of the periodic Anderson model on a cubic lattice is investigated by mean-field calculations, with focusing on the possibility of charge ordering. We show that three different charge-ordered phases appear at 3/2 filling, which…
Motivated by the recent discovery of Fe-based superconductors close to an antiferromagnetic insulator in the experimental phase diagram, here the five-orbital Hubbard model (without lattice distortions) is studied using the real-space…
The role of the multiorbital effects on the emergence of frustrated electronic orders on the triangular lattice at half filling is investigated through an extended spinless fermion Hubbard model. By using two complementary approaches,…
Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe$_2$S$_3$. The model is constructed by using {\it ab initio} hopping parameters and the ground…