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We study the quantum phase transition from an insulator to a metal realized at t'=t'_c > 0.5t in the ground state of the half-filled Hubbard chain with both nearest-neighbor (t) and next-nearest-neighbor (t') hopping. The study is carried…
At the Mott transition, electron-electron interaction changes a metal, in which electrons are itinerant, to an insulator, in which electrons are localized. This phenomenon is central to quantum materials. Here we contribute to its…
Based on ab initio calculations and metadynamics simulations, we predict that 2H-MoS$_2$, a layered insulator, will metallize under pressures in excess of 20-30 GPa. In the same pressure range, simulations and enthalpy optimization predict…
We study the Mott transition in Hubbard models with a degenerate band on different 3-dimensional lattices. While for a non-degenerate band only the half-filled system may exhibit a Mott transition, with degeneracy there can be a transition…
We construct a holographic model in the framework of Q-lattices whose dual exhibits metal-insulator transitions. By introducing an interacting term between the Q-lattice and the electromagnetic field in bulk geometry, we find such kind of…
We use the Kotliar-Ruckenstein slave boson technique to treat the strong correlation of the Hubbard model. In a first part we discuss the metal to insulator transition that is occurring on the honeycomb lattice at half filling. We find the…
We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle…
We investigate metal-insulator transitions in the Holstein-Hubbard model as a function of the on-site electron-electron interaction U and the electron-phonon coupling g. We use several different numerical methods to calculate the phase…
We study the two-step spin crossover in a double-layered elastic model based on transition metal complexes each taking high spin (HS) and low spin (LS) states. Here, only the simplest elastic interactions between adjacent molecules are…
We expose the relevance of double occupancy conservation symmetry in application of the Hubbard-I approach to strongly correlated electron systems. We propose the utility of a composite method, viz. the Hubbard-I method in conjunction with…
We investigate the metal-insulator transition in the half-filled Hubbard model on a two-dimensional triangular lattice using both the Kotliar-Ruckenstein slave-boson technique, and exact numerical diagonalization of finite clusters.…
A detailed study of electronic phase transitions in the ionic Hubbard model at half filling is presented. Within the dynamical mean field approximation a series of transitions from the band insulator via a metallic state to a Mott-Hubbard…
We investigate the doping-driven metal-insulator transition of the (2+1)-dimensional Hubbard model in the path-integral formalism with the tensor renormalization group method. We calculate the electron density $\langle n\rangle$ as a…
We report the application of the density-matrix renormalization group method to a spatially anisotropic two-dimensional Hubbard model at half-filling. We find a deconfinement transition induced by the transverse hopping parameter $t_y$ from…
We study transport properties of the half-filled two-dimensional (2D) Hubbard model with spatially varying interactions, where a pattern of interacting and non-interacting sites is formed. We use Determinantal Quantum Monte Carlo method to…
Thermodynamic and dynamical properties of filling-control metal-insulator transition (MIT) in the Hubbard model are studied by the operator projection method, especially in two dimensions. This is a non-perturbative analytic approach to…
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…
We extend our previous approach (Eur. Phys. J. B, \textbf{74}, 63(2010)) to modeling correlated electronic states and the metal-insulator transition by applying the so-called \emph{statistically consistent Gutzwiller approximation} (SGA) to…
In the present paper metal-insulator transition is studied in a generalized Hubbard model with correlated hopping at half-filling and zero temperature. Single-particle Green function and energy spectrum of electron system are calculated.…
A Mott insulator sometimes induces unconventional superconductivity in its neighbors when doped and/or pressurized. Because the phase diagram should be strongly related to the microscopic mechanism of the superconductivity, it is important…