Related papers: Parent Phases of Doped Mott Insulators: A Cluster …
Local moment formation is ubiquitous in disordered semiconductors such as Si:P, where it is observed both in the metallic and the insulating regimes. Here, we focus on local moment behavior in disordered insulators, which arises from…
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…
We report a detailed study of a model Hamiltonian which exhibits a rich interplay of geometrical spin frustration, strong electronic correlations, and charge ordering. The character of the insulating phase depends on the magnitude of…
We calculate the density of states in the half-filled Hubbard model on a Bethe lattice with infinite connectivity. Based on our analytical results to second order in $t/U$, we propose a new `Fixed-Energy Exact Diagonalization' scheme for…
We study the structural, electronic and vibrational properties of single-layer 1TNbSe$_2$ from first principles. Within the generalized gradient approximation, the 1T polytype is highly unstable with respect to the 2H. The DFT+U method…
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…
Effects of the electron-electron interaction in the two-dimensional flux phase are investigated. We treat the half-filled Hubbard model with a magnetic flux $\pi$ per plaquette by the quantum Monte Carlo method. When the interaction is…
We theoretically investigate the competition between charge-ordered state and Mott insulating state at finite temperatures in quarter-filled quasi-one-dimensional electron systems, by studying dimerized extended Hubbard chains with…
Paramagnetic solutions of the ionic Hubbard model at half-filling in dimensions $D>2$ indicate that the band and the Mott insulator phases are separated by a metallic phase. We present zero-temperature dynamical mean-field theory solutions,…
We study the normal (non-superconducting) phase of attractive Hubbard model within dynamical mean field theory (DMFT) using numerical renormalization group (NRG) as impurity solver. Wide range of attractive potentials $U$ is considered,…
The density driven Mott transition is studied by means of Dynamical Mean-Field Theory in the Hubbard-Holstein model, where the Hubbard term leading to the Mott transition is supplemented by an electron-phonon (e-ph) term. We show that an…
The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…
We find that isoelectronic disorder destroys the spectral gap in a Mott-Hubbard insulator in 2D leading, most unexpectedly, to a new metallic phase. This phase is spatially inhomogeneous with metallic behavior coexisting with…
We used exact diagonalization of small clusters and exact results in various limits to determine the phase diagram and the critical exponents of the one dimensional (1D) $U-V$ model at quarter-filling. We found an instability of the…
We study the phase diagram of a one-dimensional extended Hubbard model with antiferromagnetic exchange interaction analytically and numerically. The bosonization and transfer-matrix renormalization group methods are used in the…
The Mott-Hubbard metal-insulator transition in the paramagnetic phase of the one-band Hubbard model has long been used to describe similar features in real materials like V$_2$O$_3$. Here we show that this transition is hidden inside a…
We investigate the properties of the frustrated underdoped Hubbard model on the square lattice using two complementary approaches, the dynamical cluster extension of dynamical mean field theory, and variational Monte Carlo simulations of…
To understand the essence of the exciton Mott transition in three-dimensional electron-hole systems, the metal-insulator transition is studied for a two-band Hubbard model in infinite dimensions with interactions of electron-electron…
The widely-used Kohn-Sham implementation of density functional theory (DFT) maps a system of interacting electrons onto an auxiliary non-interacting one and is presumably inaccurate for strongly correlated materials. We present a concrete…
We study the ground state properties of the Hubbard model on a 4-leg cylinder with doped hole concentration per site $\delta\leq 12.5\%$ using density-matrix renormalization group. By keeping a large number of states for long system sizes,…