Related papers: Spin Density Waves in the Hubbard model - A DMFT a…
We discuss the interplay between electronic correlations and an underlying superlattice structure in determining the period of charge density waves (CDW's), by considering a one-dimensional Hubbard model with a repeated (non-random) pattern…
Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However, accurately modeling these in transition-metal and rare-earth…
The optical properties have been studied using the dynamical mean-field theory (DMFT) on a disordered Hubbard model. Despite the fact that disorder turns a metal to an insulator in high dimensional correlated materials, we notice that it…
We demonstrate an algebraic construction of frequency-dependent bath orbitals which can be used in a robust and rigorously self-consistent DMFT-like embedding method, here called $\omega-$DMFT, suitable for use with Hamiltonian-based…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
Correlation-driven metal-insulator transitions and temperature-driven quantum-coherent-to-incoherent crossovers in correlated electron systems underpin the doping, temperature and frequency-resolved evolution of physical responses.…
The appearance of an incommensurate charge density wave vector $\textbf{Q} = (Q_x,Q_y)$ on multiband intermetallic systems presenting commensurate charge density wave (CDW) and superconductivity (SC) orders is investigated. We consider a…
We study the ground state properties of the doped Hubbard model with strong interactions on honeycomb lattice by the Density Matrix Renormalization Group (DMRG) method. At half-filling, due to the absence of minus sign problem, it is now…
We present a theoretical framework for equilibrium and nonequilibrium dynamical simulation of quantum states with spin-density-wave (SDW) order. Within a semiclassical adiabatic approximation that retains electron degrees of freedom, we…
The recently discovered FeAs-based materials exhibit a $(\pi,0)$ Spin Density Wave (SDW) in the undoped state, which gives way to superconductivity upon doping. Here we show that due to an interesting topological feature of the band…
The applicability of the Hartree-Fock and random phase approximations to models of strongly correlated electrons is discussed. The 2D Hubbard model is analyzed. An antiferromagnetic phase (at half filling) and Fermi liquid behavior (at low…
We analyze the instability of an unpolarized uniform quantum plasma consisting of two oppositely charged fermionic components with varying mass ratios, against charge and spin density waves (CDWs and SDWs). Using density functional theory,…
We introduce and analyze an extended Hubbard model, in which intersite Coulomb interaction as well as a staggered local potential (SLP) are considered, on the square lattice at half band filling, in the thermodynamic limit. Using both…
The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT)…
We consider various incommensurate (IC) order parameters for electrons on a square lattice which reduce to $d_{x^2-y^2}$-density wave (DDW) order when the ordering wavevector ${\bf Q}\to (\pi,\pi)$. We describe the associated charge and…
We implement a multi-orbital cluster dynamical mean-field theory (DMFT), by improving a sample-update algorithm in the continuous-time quantum Monte Carlo method based on the interaction expansion. The proposed sampling scheme for the…
Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…
The dynamical mean-field theory (DMFT) combined with the fluctuation exchange (FLEX) method, namely FLEX+DMFT, is an approach for correlated electron systems to incorporate both local and non-local long-range correlations in a…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
Site density functional theory (SDFT) provides a rigorous framework for statistical mechanics analysis of inhomogeneous molecular liquids. The key defining feature of these systems is the presence of two very distinct interactions scales…