By the example of the Hubbard model we analytically and numerically examine the formating and coexisting of localized electron--electron pairs (doublons) and localized electron--hole pairs (Frenkel--type excitons) . Here we demonstrate that at a variation of the on-site Coulomb repulsion U there occurs a quantum transition from the doublon to the exciton regime that is conditioned by the low-energy effective hybridization of the valence and conductivity subbands. We calculate momentum distribution functions and electronic spectrum functions for different U, which reveal topologically nontrivial behaviour at the Fermi level.
In this paper we investigate effects of a lattice dimension on strongly correlated electronic systems at $T=0 K$. The model for numerical calculations is formalized in terms of the integral equations which were obtained previously for the half -- filled paramagnetic Hubbard model. The assumption that all relevant functions of the system have a magnitude dependence of momentus vectors makes ultimately possible treating a lattice dimension $D$ as an external parameter. We here submit for consideration the number of doubly occupied lattice sites, the electronic density of states, and the momentum…
The electronic system of the 1D Hubbard model is not stable due to Peierls instability; the correlations are strong even for the weak Coulomb interaction. The resulting strongly correlated state without Landau quisi--particle excitations is known as the Luttinger liquid. Critical exponents of a power--law dependence of correlation functions at low energies differ substantially for the Luttinger and Fermi liquids. In this paper we evaluate two critical exponents that define non--trivial behavior of the density of electronic states at low frequences and the momentum distribution of the occupatio…
The half-filled extended Hubbard model, in one and two dimensions, is studied by means of the 2-pole approximation within the Composite Operator Method with the aim at improving the possibilities to describe some of the experimental features observed for quasi-1D organic superconductors and Cu-O planes of cuprates. The phase diagrams ($T$-$V$ and $V$-$U$) are analyzed with respect to the paramagnetic metal - paramagnetic insulator - charge ordered phase transitions. The relevant features of the diagrams (rank of the phase transitions, critical points, reentrant behavior) are discussed in detai…
We obtain the phase-diagram of the half-filled honeycomb Hubbard model with density matrix embedding theory, to address recent controversy at intermediate couplings. We use clusters from 2-12 sites and lattices at the thermodynamic limit. We identify a paramagnetic insulating state, with possible hexagonal cluster order, competitive with the antiferromagnetic phase at intermediate coupling. However, its stability is strongly cluster and lattice size dependent, explaining controver- sies in earlier work. Our results support the paramagnetic insulator as being a metastable, rather than a true, i…
We investigate the half-filled two-orbital Hubbard model with the crystalline electric field using dynamical mean-field theory combined with the continuous-time quantum Monte Carlo simulations. We systematically study how the interplay of the intra- and interorbital Coulomb interations together with the Hund coupling realizes the diagonal and off-diagonal ordered states. It is found that the antiferroorbital ordered state is realized in the Hubbard model, in addition to the antiferromagnetically ordered and excitonic states. The competition between the antiferroorbital ordered and excitonic st…
A recombination radiation line of real excitons in dense two-dimensional electron gas at the [100] silicon surface is observed in luminescence spectra of metal-oxide-semiconductor (MOS) structures. A new effect of anisotropic paramagnetic reduction of the luminescence line indicates a strong influence of the Kondo correlations on electron paramagnetism of the excitons.
Using the nonlocal coherent-potential approximation we study the effect of intersite spatial correlations on the transition from band insulator to metal as well as from metal to Mott insulator in the "alloy analogy" approach to the paramagnetic solution of the half-filled ionic Hubbard model. We find that intersite spatial correlations enhance the metallic phase.
Half-filled Landau levels admit the theoretically powerful fermion-vortex duality but longstanding puzzles remain in their experimental realization as $ν_T=1$ quantum Hall bilayers, further complicated by Zheng et al's recent numerical discovery of an unknown phase at intermediate layer spacing. Here we propose that half-filled quantum Hall bilayers ($ν_T=1$) at intermediate values of the interlayer distance $d/\ell_B$ enter a phase with \textit{paired exciton condensation}. This phase shows signatures analogous to the condensate of interlayer excitons (electrons bound to opposite-layer holes)…
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. Contrary to the case of the square lattice, where the perfect nesting of the Fermi surface leads to a metal-insulator transition at arbitrarily small values of U, always accompanied by antiferromagnetic ordering, on the triangular lattice, due to the lack of perfect nesting, the transition takes place at a finite value of U, and frustration induces a non-trivial co…
We study the interplay between Néel-antiferromagnetism and the paramagnetic metal-insulator-transition (PMIT) on a Bethe lattice with nearest and next-nearest eighbor hopping $t_1$ and $t_2$. We concentrate in this paper on the situation at half-filling. For $t_2/t_1\to 1$ the PMIT outgrows the antiferromagnetic phase and shows a scenario similar to V$_2$O$_3$. In this parameter regime we also observe a novel magnetic phase.
We study the interplay of particle-hole symmetry and fermion-vortex duality in multicomponent half-filled Landau levels, such as quantum Hall gallium arsenide bilayers and graphene. For the $ν{=}1/2{+}1/2$ bilayer, we show that particle-hole-symmetric interlayer Cooper pairing of composite fermions leads to precisely the same phase as the electron exciton condensate realized in experiments. This equivalence is easily understood by applying the recent Dirac fermion formulation of $ν{=}1/2$ to two components. It can also be described by Halperin-Lee-Read composite fermions undergoing interlayer …
At a large displacement field, in rhomboedral and Bernal-stacked graphene a normal paramagnetic state transitions to a correlated state. Recent experiments showed that such systems have several phase transitions as a function of the carrier density. The phase adjacent to a paramagnetic state has anomalously high resistance and reduced degeneracy of the Fermi sea. We show that both phenomena can be explained through a concept of partial intervalley exciton condensation: a fraction of particles condenses into excitons, and another forms an intervalley coherent Fermi liquid. The exciton part of t…
The metal-insulator transition of the quarter-filled Hubbard model on triangular lattice is studied at the mean field level. We find a quasi-one dimensional metallic state with a collinear magnetic order competes closely with an insulating state with a non-coplanar magnetic order for both signs of the hopping integral $t$. In the strong correlation regime($U/|t|\gg1$), it is found that the metal-insulator transition of the system occurs in a two-step manner. The quasi-one dimensional metallic state with collinear magnetic order is found to be stable in an intermediate temperature region betwee…
We analyze the ground-state properties of strongly-correlated electrons coupled with phonons by means of a generalized Gutzwiller wavefunction which includes phononic degrees of freedom. We study in detail the paramagnetic half-filled Hubbard-Holstein model, where the electron-electron interaction can lead to a Mott transition, and the electron-phonon coupling to a bipolaronic transition. We critically discuss the quality of the proposed wavefunction in describing the various transitions and crossovers that occur as a function of the parameters. Previous variational attempts are recovered as p…
We show that the Mott insulating state of the half-filled paramagnetic Hubbard model in infinite dimensions contains electronic quasiparticles with very small quasiparticle weight at the inner edge of the Hubbard bands. We use a stochastic and non-perturbative quantum impurity solver based on calculating the impurity self energy as a sample average over a representative distribution of impurity models solved by exact diagonalization. Due to the natural parallelization of the method, millions of poles are readily generated for the self energy which allows to work with very small pole-broadening…
We have revisited Cooper's one pair problem of calculating the binding energy for two electrons, experiencing an attractive interaction near the Fermi surface, in case of quasi one dimensional lattice system. Though it is a generalized formalism, we have chosen two materials viz., (TMTSF)2ClO4 and (TMTSF)2AsF6 as examples. Some of their electronic and optical features are used for calculations and validity this formalism is checked too for these materials. It is generally believed that spin density fluctuation mechanism is very strong candidate for the occurrence of superconductivity in these …
The cubic double perovskite Ba$_2$YIrO$_6$ has been investigated by the local probe techniques nuclear magnetic resonance ($^{89}$Y NMR) and muon spin rotation (muSR). Both methods confirm the absence of magnetic long-range order in this compound but find evidence for diluted localized paramagnetic moments. NMR spin-lattice relaxation rate 1/T1 measurements suggest a slowing down of localized spin moments at low temperatures. An increase of the muSR spin-lattice relaxation rate lambda confirms the presence of weak magnetism in Ba$_2$YIrO$_6$ . However, these findings cannot be explained by the…
Motivated by experimental developments introducing the concept of spin-orbit separation, we study the real-space time evolution of an excitonic wave-packet using a two-orbital Hubbard model. The exciton is created by exciting an electron from a lower energy half-filled orbital to a higher energy empty orbital. We carry out the real-time dynamics of the resulting excitonic wave-packet, using the time-dependent density matrix renormalization group method. We find clear evidence of charge-spin and spin-orbit separation in real-space, by tracking the time evolution of local observables. We show th…
We study the photoinduced breakdown of a two-orbital Mott insulator and resulting metallic state. Using time-dependent density matrix renormalization group, we scrutinize the real-time dynamics of the half-filled two-orbital Hubbard model interacting with a resonant radiation field pulse. The breakdown, caused by production of doublon-holon pairs, is enhanced by Hund's exchange, which dynamically activates large orbital fluctuations. The melting of the Mott insulator is accompanied by a high to low spin transition with a concomitant reduction of antiferromagnetic spin fluctuations. Most notabl…
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 (hole-hole) repulsion U and electron-hole attraction -U'. By using the dynamical mean-field theory, the phase diagram in the U-U' plane is obtained (which is exact in infinite dimensions) assuming that electron-hole pairs do not condense. When both electron and hole bands are half-filled, two types of insulating states appear: the Mott-Hubbard insulator for U > U'…
We employ dynamical density-matrix renormalization group (DDMRG) and field-theory methods to determine the frequency-dependent optical conductivity in one-dimensional extended, half-filled Hubbard models. The field-theory approach is applicable to the regime of `small' Mott gaps which is the most difficult to access by DDMRG. For very large Mott gaps the DDMRG recovers analytical results obtained previously by means of strong-coupling techniques. We focus on exciton formation at energies below the onset of the absorption continuum. As a consequence of spin-charge separation, these Mott-Hubbard…
We discuss monolayer and bilayer quantum Hall systems in which each layer is a half-filled Landau level (LL) system. In the mean field approximation of the Son's formalism there is a common pairing structure that underlines the possibilities for paired ground states in both systems. We argue that the particle-hole (PH) Pfaffian state in the (particle-hole symmetric) half-filled LL of a monolayer, and analogous state in the PH symmetric bilayer (in which each layer is half-filled LL) can be considered as {\em critical states} i.e. states that cannot describe a phase under PH symmetry. We point …
We investigate the local moment formation in the half-filled SU($N$) Hubbard model under a staggered ionic potential. As the Hubbard $U$ increases, the charge fluctuations are suppressed and eventually frozen when $U$ is above a critical value $U_c$, marking the development of well-defined local moment with integer $m$ fermions on the A-sublattice and $(N-m)$ fermions on the B-sublattice, respectively. We obtain an analytical solution for $U_c$ for the paramagnetic ground state within the variational Gutzwiller approximation and renormalized mean field theory. For large $N$, $U_c$ is found to …
The Hubbard model with large orbital degeneracy has recently gained relevance in the context of ultracold earth alkali like atoms. We compute its static properties in the SU(2M) symmetric limit for up to M=8 bands at half filling within dynamical mean-field theory, using the numerically exact multigrid Hirsch-Fye quantum Monte Carlo approach. Based on this unbiased data, we establish scaling laws which predict the phase boundaries of the paramagnetic Mott metal-insulator transition at arbitrary orbital degeneracy M with high accuracy.
We have investigated the tunneling properties of an electron double quantum well system where the lowest Landau level of each quantum well is half filled. This system is expected to be a Bose condensate of excitons. Our four-terminal dc measurements reveal a nearly vanishing interlayer voltage and the existence of critical tunneling currents which depend on the strength of the condensate state.
The antiferromagnetic ground state of the half-filled Hubbard model with the doubly degenerate orbital has been studied by using the slave-boson mean-field theory which was previously proposed by the present author. Numerical calculations for the simple cubic model have shown that the metal-insulator transition does not take place except at the vanishing interaction point, in strong contrast with its paramagnetic solution. The energy gap in the density of states of the antiferromagnetic insulator is much reduced by the effect of electron correlation. The exchange interaction $J$ plays an impor…
We investigate ordered phases (s-wave superconducting (SC), antiferromagnetic (AF) and charge ordered (CO) phases) of the half-filled Holstein-Hubbard model using the dynamical mean-field theory in combination with a continuous time quantum Monte Carlo impurity solver. We particularly focus on the parameter regime where the electron-electron Coulomb interaction and the phonon mediated retarded attractive interaction are both comparable to the bare electron bandwidth to understand the interplay of these interactions and the retardation effects due to finite phonon frequency ω_0. Results for the…
We investigate the ionic Hubbard model (IHM) at half-filling in the limit of strong correlations and large ionic potential. The low energy effective Hamiltonian in this limit, obtained by a similarity transformation, is a modified $t-J$ model with effective second neighbour hopping terms. We explore the possibilities of d-wave pairing and extended s-wave pairing superconducting (SC) phases on a two dimensional square lattice at zero temperature within a Gutzwiller projected renormalized mean field theory. In the sector of solutions that forbid spin ordering, the system shows a finite non-zero …
The one-electron density of states for the half-filled Hubbard model on a triangular lattice is studied as a function of both temperature and Hubbard U using Quantum Monte Carlo. We find three regimes: (1) a strong-coupling Mott-Hubbard regime, characterized by a gap which persists even at high temperatures; (2) a weak-coupling paramagnetic regime, characterized by the absence of a pseudogap at any finite temperature; and (3) an intermediate-coupling (spiral) spin-density-wave regime, characterized by a pseudogap which appears when U is increased beyond a critical (temperature dependent) value…
We study the phase diagram of the ionic Hubbard model (IHM) at half-filling using dynamical mean field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered potential $Δ$ and the on-site Hubbard U. In both the methods we find that for a finite $Δ$ and at zero temperature, anti-ferromagnetic (AFM) order sets in beyond a threshold $U=U_{AF}$ via a first order phase transition below which the system is a paramagnetic band insulator. Both the m…
We study the magnetic field driven metal-to-insulator transition in half-filled Hubbard model on the Bethe lattice, using the dynamical mean-field theory by solving the quantum impurity problem with density-matrix renormalization group algorithm. The method enables us to obtain a high-resolution spectral densities in the presence of a magnetic field. It is found that the Kondo resonance at the Fermi level splits at relatively high magnetic field: the spin-up and spin-down components move away from the Fermi level and finally form a spin polarized band insulator. By calculating the magnetizatio…
We investigate the optical conductivity of half-filled N-leg Hubbard ladders far into the ``deconfinement'' limit (i.e., weak Hubbard interaction and relatively strong interchain hopping). The N-leg Hubbard ladder is equivalent to an N-band model with velocities obeying $v_1=v_N<v_2=v_{N-1}<...$. When N is not too large $(N=3,4...)$, the band pairs $(i,N+1-i)$ successively flow to the D-Mott state leading to a cascade of charge and spin gaps [U. Ledermann, K. Le Hur, and T. M. Rice, Phys. Rev. B {\bf{62}}, 16383 (2000)], and to the progressive closing of the two-dimensional (2D) Fermi surface …
Using exact numerical techniques we investigate the nature of excitonic (electron-hole) bound states and the development of exciton coherence in the one-dimensional half-filled extended Falicov-Kimball model. The ground-state phase diagram of the model exhibits, besides band insulator and staggered orbital ordered phases, an excitonic insulator (EI) with power-law correlations. The criticality of the EI state shows up in the von Neumann entropy. The anomalous spectral function and condensation amplitude provide the binding energy and coherence length of the electron-hole pairs which, on their …
A systematic study of the effect of magnetic field (h) on Hubbard model has been carried out at half filling within dynamical mean field theory. In agreement with previous studies, we find a zero temperature itinerant metamagnetic transition, reflected in the discontinuous changes in magnetization as well as in the hysteresis, from a paramagnetic (PM) metallic state to a polarized quasi-ferromagnetic (QFM) state, at intermediate and large interaction strength ($U$). The jump in magnetization vanishes smoothly with decreasing interaction strength, and at a critical $U$, the transition becomes c…
Using the determinant quantum Monte Carlo method, we investigate the metal-insulator transition in the interacting disordered Hubbard model of a Lieb lattice, in which the system characterizes the flat band centered at the Fermi level. By choosing suitable electron densities, we ensure the weak interaction sign problem to improve the reliability of our results. It is found that disorder and on-site Coulomb repulsive interaction produce interesting effects that induce the metal-insulator transition which is impossible in the half-filled case. The density of states at the Fermi energy is still f…
We study the optical response of a Mott Hubbard system in the framework of the half--filled Extended Hubbard Model using the Density Matrix Renormalization Group (DMRG) method. We discuss the appearance of excitonic features inside the spectral gap as the system goes from the Spin Density Wave (SDW) to the Charge Density Wave (CDW) phase.
In Mott insulators, the strong electron-electron Coulomb repulsion prevents metallicity and charge excitations are gapped. In dimensions greater than one, their spins are usually ordered antiferromagnetically at low temperatures. Geometrical frustrations can destroy this long-range order, leading to exotic quantum spin liquid (QSL) states. However, their magnetic ground states have been a long-standing mystery. Here we show that a QSL state in the organic Mott insulator EtMe$_3$Sb[Pd(dmit)$_2$]$_2$ with two-dimensional triangular lattice has Pauli-paramagnetic-like low-energy excitations, whic…
By a combination of Hartree-Fock simulations, exact diagonalization, and perturbative calculations, we investigate the ground-state properties of disorder-free circular quantum dots formed in a graphene monolayer. Taking the reference chemical potential at the Dirac point, we study N \leq 15 interacting particles, where the fine structure constant α parametrizes the Coulomb interaction. We explore three different theoretical concepts: (i) Sucher's positive projection ("no-pair") approach, (ii) a more general Hamiltonian conserving both N and the number of additional electron-hole pairs, and (i…
We employ the cluster slave-spin method to investigate systematically the ground state properties of the Hubbard model on a square lattice with doping $δ$ and coupling strength $U$ being its parameters. In addition to a crossover reflected in the behavior of the antiferromagnetic gap $Δ_{\text{AFM}}$, this property can also be observed in the energetics of the cluster slave-spin Hamiltonian -- the antiferromagnetism at small $U$ is due to the potential energy gain while that in the strong coupling limit is driven by the kinetic energy gain, which is consistent with the results from the cluster…
As a prototype model of antiferromagnetism, we propose a repulsive Hubbard Hamiltonian defined on a graph $Ł={\cal A}\cup{\cal B}$ with ${\cal A}\cap {\cal B}=\emptyset$ and bonds connecting any element of ${\cal A}$ with all the elements of ${\cal B}$. Since all the hopping matrix elements associated with each bond are equal, the model is invariant under an arbitrary permutation of the ${\cal A}$-sites and/or of the ${\cal B}$-sites. This is the Hubbard model defined on the so called $(N_{A},N_{B})$-complete-bipartite graph, $N_{A}$ ($N_{B}$) being the number of elements in ${\cal A}$ (${\cal…
We introduce a strongly correlated mean-field theory of the ionic Hubbard model on the triangular lattice with alternating stripes of site energy using Barnes-Coleman slave bosons. We study the paramagnetic phases of this theory at three quarters filling, where it is a model of Na_0.5CoO_2, Rb_0.5CoO_2, and K_0.5CoO_2. This theory has two bands of fermionic quasi-particles: one of which is filled or nearly filled and hence weakly correlated; the other is half-filled or nearly half-filled and hence strongly correlated. Further results depend strongly on the sign of the hopping integral, t. The …
Photoemission spectra of the paramagnetic insulating (PI) phase of (V_0.972Cr_0.028)_2O_3, taken in ultra high vacuum up to the unusually high temperature (T) of 800 K, reveal a property unique to the Mott-Hubbard (MH) insulator and not observed previously. With increasing T the MH gap is filled by spectral weight transfer, in qualitative agreement with high-T theoretical calculations combining dynamical mean field theory and band theory in the local density approximation.
For interacting 2D electrons in the presence of magnetic field at half filling, the system forms a `composite Fermi liquid(CFL)' with emergent Fermi surface and exhibits metallic behavior, based on the standard Halperin, Lee, and Read(HLR) field theory. Recently, Son introduces a composite Dirac theory as the low energy effective description of Half-filled Landau Level. Such theory exhibits particle-hole symmetry and the underlying composite Fermi surface displays a robust $π$ Berry phase. In this paper, we start from the bilayer Half-filled Landau Level system where the two composite Fermi su…
We supplement (and critically overview) the existing extensive analysis of antiferromagnetic solution for the Hubbard model with a detailed discussion of two specific features, namely (i) the evolution of the magnetic (Slater) gap (here renormalized by the electronic correlations) into the Mott-Hubbard or atomic gap, and (ii) a rather weak renormalization of the effective mass by the correlations in the half-filled-band case, which contrasts with that for the paramagnetic case. The mass remains strongly enhanced in the non-half-filled-band case. We also stress the difference between magnetic a…
In connection with recent experiments on excitation in which Mott insulators change to conductors, we study the properties of excited states beyond the Mott gap as quasi-stationary states for a two-dimensional Hubbard (t-t'-U) model at half filling. A variational Monte Carlo method is used with trial wave functions for paramagnetic or normal (PM), superconducting with dx2-y2-wave (d-SC), isotropic s-wave, and extended s-wave symmetries, and antiferromagnetic (AF) states. The excited states are generated by imposing a minimum number of doubly occupied sites (doublons) D_L on the lowest-energy s…
The Hubbard model is studied in the external magnetic field. The analysis is carried out phenomenologically within the framework of the Ginzburg-Landau theory with the order parameter describing the opposite spin electrons. The study is performed for the nearly half-filled lower Hubbard band in the metallic state. The final equations are the Pauli-like ones for the opposite spins and nonlinear as a result of interaction between electrons with the opposite spins. The equations can analytically be solved for the spatially homogeneous distributions in a number of most interesting cases. In partic…
As a prototype model of antiferromagnetism, we propose a repulsive Hubbard Hamiltonian defined on a graph $Ł={\cal A}\cup{\cal B}$ with ${\cal A}\cap {\cal B}=\emptyset$ and bonds connecting any element of ${\cal A}$ with all the elements of ${\cal B}$. Since all the hopping matrix elements associated with each bond are equal, the model is invariant under an arbitrary permutation of the ${\cal A}$-sites and/or of the ${\cal B}$-sites. This is the Hubbard model defined on the so called $(N_{A},N_{B})$-complete-bipartite graph, $N_{A}$ ($N_{B}$) being the number of elements in ${\cal A}$ (${\cal…
