Microscopic study of a spin-orbit-induced Mott insulator in Ir oxides

Motivated by recent experiments of a novel 5d Mott insulator in Sr2IrO4, we have studied the two-dimensional three-orbital Hubbard model with a spin-orbit coupling λ. The variational Monte Carlo method is used to obtain the ground state phase diagram with varying an on-site Coulomb interaction U as well as λ. It is found that the transition from a paramagnetic metal to an antiferromagnetic insulator occurs at a finite U=U(MI), which is greatly reduced by a large λ, characteristic of 5d electrons, and leads to the "spin-orbit-induced" Mott insulator. It is also found that the Hund's coupling induces the anisotropic spin exchange and stabilizes the in-plane antiferromagnetic order. We have further studied the one-particle excitations by using the variational cluster approximation and revealed the internal electronic structure of this novel Mott insulator. These findings are in agreement with experimental observations on Sr2IrO4.     

Correlated insulated phase suggests bond order between band and mott insulators in two dimensions

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.     

Superfluid to Mott‐insulator transition in an anisotropic two‐dimensional optical lattice

We study the superfluid to Mott‐insulator transition of bosons in an optical anisotropic lattice by employing the Bose‐Hubbard model living on a two‐dimensional lattice with anisotropy parameter κ. The compressible superfluid state and incompressible Mott‐insulator (MI) lobes are efficiently described analytically, using the quantum U(1) rotor approach. The ground state phase diagram showing the evolution of the MI lobes is quantified for arbitrary values of κ, corresponding to various kind of lattices: from square, through rectangular to almost one‐dimensional.     

Mott transition, antiferromagnetism, and d-wave superconductivity in two-dimensional organic conductors

We study the Mott transition, antiferromagnetism, and superconductivity in layered organic conductors using the cellular dynamical mean-field theory for the frustrated Hubbard model. A d-wave superconducting phase appears between an antiferromagnetic insulator and a metal for t'/t=0.3-0.7 or between a nonmagnetic Mott insulator (spin liquid) and a metal for t'/t>or=0.8, in agreement with experiments on layered organic conductors including kappa-(ET)2Cu2(CN)3. These phases are separated by a strong first-order transition. The phase diagram gives much insight into the mechanism for -wave superconductivity. Two predictions are made.     

Gossamer superconductor,Mott insulator,and resonating valence bond state in correlated electron systems

Gutzwiller variational method is applied to an effective two-dimensional Hubbard model to examine the recently proposed gossamer superconductor by Laughlin (LANL cond-mat/0209269). The ground state at half filled electron density is a gossamer superconductor for smaller intrasite Coulomb repulsion U and a Mott insulator for larger U. The gossamer superconducting state is similar to the resonating valence bond superconducting state, except that the chemical potential is approximately pinned at the mid of the two Hubbard bands away from the half filled.     

Mott transition from a spin liquid to a Fermi liquid in the spin-frustrated organic conductor kappa-(ET)2Cu2(CN)3

The pressure-temperature phase diagram of the organic Mott insulator kappa-(ET)2Cu2(CN)3, a model system of the spin liquid on triangular lattice, has been investigated by 1H NMR and resistivity measurements. The spin-liquid phase is persistent before the Mott transition to the metal or superconducting phase under pressure. At the Mott transition, the spin fluctuations are rapidly suppressed and the Fermi-liquid features are observed in the temperature dependence of the spin-lattice relaxation rate and resistivity. The characteristic curvature of the Mott boundary in the phase diagram highlights a crucial effect of the spin frustration on the Mott transition.     

Correlation-driven charge order at the interface between a Mott and a band insulator

To study digital Mott insulator LaTiO3 and band insulator SrTiO3 interfaces, we apply correlated band theory within the local density approximation including a Hubbard U to (n, m) multilayers, 1相似文献   

Can correlations drive a band insulator metallic?

We analyze the effects of the on-site Coulomb repulsion U on a band insulator using dynamical mean field theory (DMFT). We find the surprising result that the gap is suppressed to zero at a critical Uc1 and remains zero within a metallic phase. At a larger Uc2 there is a second transition from the metal to a Mott insulator, in which the gap increases with increasing U. These results are qualitatively different from Hartree-Fock theory which gives a monotonically decreasing but nonzero insulating gap for all finite U.     

Cluster dynamical mean field theory of the Mott transition

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 correlations on top of the on-site correlations does not change the order of the transition between the paramagnetic metal and the paramagnetic Mott insulator, which remains first order. However, the short range correlations reduce substantially the critical U and modify the shape of the transition lines. Moreover, they lead to very different physical properties of the metallic and insulating phases near the transition point. Approaching the transition from the metallic side, we find an anomalous metallic state with very low coherence scale. The insulating state is characterized by the narrow Mott gap with pronounced peaks at the gap edge.     

Fragile Mott insulators

We prove that there exists a class of crystalline insulators, which we call "fragile Mott insulators," which are not adiabatically connected to any sort of band insulator provided time-reversal and certain point-group symmetries are respected, but which are otherwise unspectacular in that they exhibit no topological order nor any form of fractionalized quasiparticles. Different fragile Mott insulators are characterized by different nontrivial one-dimensional representations of the crystal point group. We illustrate this new type of insulators with two examples: the d Mott insulator discovered in the checkerboard Hubbard model at half-filling and the Affleck-Kennedy-Lieb-Tasaki insulator on the square lattice.     

Quantum Monte Carlo study of an interaction-driven band-insulator-to-metal transition

We study the transitions from band insulator to metal to Mott insulator in the ionic Hubbard model on a two-dimensional square lattice using determinant quantum Monte Carlo. Evaluation of the temperature dependence of the conductivity demonstrates that the metallic region extends for a finite range of interaction values. The Mott phase at strong coupling is accompanied by antiferromagnetic order. Inclusion of these intersite correlations changes the phase diagram qualitatively compared to dynamical mean field theory.     

Exact bond ordered ground state for the transition between the band and the Mott insulator

We derive an effective Hamiltonian H(eff) for an ionic Hubbard chain, valid for tt) and the Mott insulator (MI) (U-Delta>t). Using spin-particle transformations [Phys. Rev. Lett. 86, 1082 (2001)]], we map H(eff)(U=Delta) into an SU(3) antiferromagnetic Heisenberg model whose exact ground state is known. In this way, we show rigorously that a spontaneously dimerized insulating ferroelectric phase appears in the transition region between the BI and the MI.     

Dimerization in a half-filled one-dimensional extended hubbard model

We use a density-matrix renormalization group method to study quantitatively the phase diagram of a one-dimensional extended Hubbard model at half filling by investigating the correlation functions and structure factors. We confirmed the existence of a novel narrow region with long-range bond-order-wave order that was highly controversial recently between the charge-density-wave phase and Mott insulator phase. We determined accurately the position of the bicritical point U(b) approximately 7.2t, V(b) approximately 3.746t, which is quite different from previous studies.     

Breakdown of Luttinger's theorem in two-orbital Mott insulators

An analysis of Luttinger's theorem shows that – contrary to recent claims – it is not valid for a generic Mott insulator. For a two-orbital Hubbard model with two electrons per site the crossover from a non-magnetic correlated insulating phase (Mott or Kondo insulator) to a band insulator is investigated. Mott insulating phases are characterized by poles of the self-energy and corresponding zeros in the Greens functions defining a “Luttinger surface” which is absent for band insulators. Nevertheless, the ground states of such insulators with two electrons per unit cell are adiabatically connected.     

Quench dynamics and nonequilibrium phase diagram of the bose-hubbard model

We investigate the time evolution of correlations in the Bose-Hubbard model following a quench from the superfluid to the Mott insulator. For large values of the final interaction strength the system approaches a distinctly nonequilibrium steady state that bears strong memory of the initial conditions. In contrast, when the final interaction strength is comparable to the hopping, the correlations are rather well approximated by those at thermal equilibrium. The existence of two distinct nonequilibrium regimes is surprising given the nonintegrability of the Bose-Hubbard model. We relate this phenomenon to the role of quasiparticle interactions in the Mott insulator.     

A review of Monte Carlo simulations for the Bose–Hubbard model with diagonal disorder

We review the physics of the Bose–Hubbard model with disorder in the chemical potential focusing on recently published analytical arguments in combination with quantum Monte Carlo simulations. Apart from the superfluid and Mott insulator phases that can occur in this system without disorder, disorder allows for an additional phase, called the Bose glass phase. The topology of the phase diagram is subject to strong theorems proving that the Bose Glass phase must intervene between the superfluid and the Mott insulator and implying a Griffiths transition between the Mott insulator and the Bose glass. The full phase diagrams in 3d and 2d are discussed, and we zoom in on the insensitivity of the transition line between the superfluid and the Bose glass in the close vicinity of the tip of the Mott insulator lobe. We briefly comment on the established and remaining questions in the 1d case, and give a short overview of numerical work on related models.     

Mott transition in the two-dimensional Hubbard model

Spectral properties of the two-dimensional Hubbard model near the Mott transition are investigated by using cluster perturbation theory. The Mott transition is characterized by freezing of the charge degrees of freedom in a single-particle excitation that leads continuously to the magnetic excitation of the Mott insulator. Various anomalous spectral features observed in cuprate high-temperature superconductors are explained in a unified manner as properties near the Mott transition.     

Collective excitations and the nature of Mott transition in undoped gapped graphene

The particle-hole continuum (PHC) for massive Dirac fermions provides an unprecedented opportunity for the formation of two collective split-off states, one in the singlet and the other in the triplet (spin-1) channel, when the short-range interactions are added to the undoped system. Both states are close in energy and are separated from the continuum of free particle-hole excitations by an energy scale of the order of the gap parameter Δ. They both disperse linearly with two different velocities, reminiscent of spin-charge separation in Luttinger liquids. When the strength of Hubbard interactions is stronger than a critical value, the velocity of singlet excitation, which we interpret as a charge composite boson, becomes zero and renders the system a Mott insulator. Beyond this critical point the low-energy sector is left with a linearly dispersing triplet mode-a characteristic of a Mott insulator. The velocity of the triplet mode at the Mott criticality is twice the velocity of the underlying Dirac fermions. The phase transition line in the space of U and Δ is in qualitative agreement with our previous dynamical mean field theory calculations.     

Competing orders and superconductivity in the doped mott insulator on the Shastry-Sutherland lattice

Quantum antiferromagnets on geometrically frustrated lattices often allow a number of unusual paramagnetic ground states. The fate of these Mott insulators upon doping is an important issue that may shed some light on the high T(c) cuprate problem. We consider the doped Mott insulator on the Shastry-Sutherland lattice via the t-J model. The U(1) slave-boson mean-field theory reveals the strong competition between different broken symmetry states. It is found that, in some ranges of doping, there exist superconducting phases with or without coexisting translational-symmetry-breaking orders such as the staggered flux or dimerization. Our results will be directly relevant to SrCu2(BO3)(2) when this material is doped in future.