Related papers: Pseudogap and Mott Transition Studied by Cellular …
We address the nature of the Mott transition in the Hubbard model at half-filling using cluster Dynamical Mean Field Theory (DMFT). We compare cluster DMFT results with those of single site DMFT. We show that inclusion of the short range…
The dynamical mean-field theory (DMFT) is employed to study the Mott transition in the semi-infinite Hubbard model at half-filling and zero temperature. We consider the low-index surfaces of the three-dimensional simple-cubic lattice and…
Mott insulators can be portrayed as "unsuccessful metals": systems in which a strong Coulomb repulsion prevents charge conduction notwithstanding the metal-like density of conduction electrons. The possibility to unlock such large density…
Mott insulator to metal transitions under electric field are currently the subject of numerous fundamental and applied studies. This puzzling effect, which involves non-trivial out-of-equilibrium effects in correlated systems, is indeed at…
We thoroughly analyze the divergences of the irreducible vertex functions occurring in the charge channel of the half-filled Hubbard model in close proximity to the Mott metal-insulator transition (MIT). In particular, by systematically…
Using nonequilibrium dynamical mean-field theory, we compute the time evolution of the current in a Mott insulator after a strong electric field is turned on. We observe the formation of a quasistationary state in which the current is…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…
The Mott metal-insulator transition-a drastic manifestations of Coulomb interactions among electrons-is the first-order transition of clear discontinuity, as shown by various experiments and the celebrated dynamical mean-field theory.…
We consider a minimal model to investigate the metal-insulator transition in VO$_2$. We adopt a Hubbard model with two orbital per unit cell, which captures the competition between Mott and singlet-dimer localization. We solve the model…
We present a theoretical investigation of the electronic structure of rutile (metallic) and M$_1$ and M$_2$ monoclinic (insulating) phases of VO$_2$ employing a fully self-consistent combination of density functional theory and embedded…
We study the Hubbard-Holstein model, which includes both the electron-electron and electron-phonon interactions characterized by $U$ and $g$, respectively, employing the dynamical mean-field theory combined with Wilson's numerical…
An intricate interplay between superconductivity, pseudogap and Mott transition, either bandwidth driven or doping driven, occurs in materials. Layered organic conductors and cuprates offer two prime examples. We provide a unified…
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $\epsilon_{i}$ have a bimodal probability distribution and an energy separation…
The metal-insulator transition (MIT) is a fundamental phenomenon in condensed matter physics and a hallmark of strong electronic correlations. Hydrogen-based systems offer a simple yet powerful model for investigating the MIT, as their…
High-temperature superconductivity emerges in the CuO$_2$ plane upon doping a Mott insulator. To ascertain the influence of Mott physics plus short-range correlations, we solve a three-band copper-oxide model in the charge-transfer regime…
We investigate nonmagnetic metal-insulator transition in the 1/5-depleted square lattice Hubbard model at half-filling within the 8-site cellular dynamical mean field theory. We find that a metal-insulator transition without any signatures…
We present a new quantum molecular dynamics (MD) method where the electronic structure and atomic forces are solved by a real-space dynamical mean-field theory (DMFT). Contrary to most quantum MD methods that are based on effective…
The evolution from an anomalous metallic phase to a Mott insulator within the two-dimensional Hubbard model is investigated by means of the Cellular Dynamical Mean-Field Theory. We show that the density-driven Mott metal-insulator…
We investigate the Mott transition using a cluster extension of dynamical mean field theory (DMFT). In the absence of frustration we find no evidence for a finite temperature Mott transition. Instead, in a frustrated model, we observe…