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Communications in Physics

Mott Transition in the Mass Imbalanced Ionic Hubbard Model at Half Filling

Nguyen Thi Hai Yen, Le Duc Anh, Hoàng Anh Tuấn, Nguyen Toan Thang, Nguyễn Thị Hương

Published Oct 22, 2019• 1 citation
Publisher

Abstract

The Mott - Hubbard metal - insulator transition in the half-filled mass imbalanced ionic Hubbard model is investigated using the two-site dynamical mean field theory. We find that for a fixed mass imbalanced parameter r the critical interaction Uc increases when the ionic energy \(\Delta\) is increased. In the other hand, for a fixed \(\Delta\), \(U_c\) decreases with increasing the mass imbalance. We also show the existence of BI phase in the system for the case \(\Delta \ne 0\), \(U=0\) and calculate the staggered charge density \(n_B − n_A\) as a function of the interaction for different values of the mass imbalance. Our results in the limiting cases (\(r = 1\); \(\Delta \ne 0\) or/and \(\Delta = 0\); \(r\ne 1\)) are in good agreement with those obtained from full dynamical mean field theory.

DOI
10.15625/0868-3166/29/3si/14265

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We investigated the effects of mass imbalance on the metal-insulator phase diagram in the half-filled ionic Hubbard model using dynamical mean field theory (DMFT) and the equations of motion (EOM) method to solve the impurity problem. Our results show that the band insulator region changes less significantly compared to the Mott insulator region, while the metallic region shrinks as the mass imbalance increases. Additionally, the staggered charge density was calculated and analyzed for various values of mass imbalance, providing further insight into the critical Coulomb interaction values that govern phase transitions.
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 insulating phase is found at intermediate values of the one-body potential $\ensuremath{\Delta}$ with increasing the Coulomb interaction UUU. We obtain a critical region in which the metallic phase disappears and a coexistence phase between the band and the Mott insulating state sets in. Our results are consistent with those obtained at low dimensions, thus they provide a concrete description for the charge degrees of freedom of the ionic Hubbard model.
Many-body problem on the honeycomb lattice systems have been the subject of considerable experimental and theoretical interest. Here we investigate the phase transitions of the ionic Hubbard model on the honeycomb lattice with an alternate ionic potential for the half filling and hole doping cases by means of cellular dynamical mean field theory combining with continue time quantum Monte Carlo as an impurity solver. At half filling, as the increase of the interaction at a fixed ionic potential, we find the single particle gap decreases firstly, reaches a minimum at a critical interaction Uc, then increases upturn. At Uc, there is a band insulator to Mott insulator transition accompanying with the presence of the antiferromagnetic order. Away from half filing, the system shows three phases for the different values of hole density and interaction, paramagnetic metal, antiferromagnetic metal and ferromagnetic metal. Further, we present the staggered particle number, the double occupancy, the staggered magnetization, the uniform magnetization and the single particle spectral properties, which exhibit characteristic features for those phases.
We investigate the ground state phase diagram of the half-filled repulsive Hubbard model in two dimensions in the presence of a staggered potential Delta, the so-called ionic Hubbard model, using cluster dynamical mean-field theory. We find that for large Coulomb repulsion, U >> Delta, the system is a Mott insulator (MI). For weak to intermediate values of Delta, on decreasing U, the Mott gap closes at a critical value Uc1(Delta) beyond which a correlated insulating phase with possible bond order is found. Further, this phase undergoes a first-order transition to a band insulator (BI) at Uc2(Delta) with a finite charge gap at the transition. For large Delta, there is a direct first-order transition from a MI to a BI with a single metallic point at the phase boundary.
We investigate the Mott metal-insulator transition in the asymmetric Hubbard model, which may describe the ground states of fermionic atoms trapped in optical lattices. We use the dynamical mean-field theory and the equation of motion approach to calculate the density of states at the Fermi level and the double occupation for various values of the on-site interaction U and the hopping asymmetry r . The critical interaction is also obtained as a function of the hopping asymmetry. Our results are in good agreement with the ones obtained by using the dynamical mean field theory with the exact diagonalization and the quantum Monte Carlo techniques.