We provide analytical and numerical solution of the two band fermion model with on-site Coulomb at half filling. In limiting cases for generate bands and one flat band, the model reduces to the Hubbard and Falicov-Kimball models, respectively. We have shown that the insulator state emerges at half filling due to hybridization of fermions of different bands with momenta k and k$+π$. Such hybridization breaks the conservation of the number of particles in each band, the Mott transition is a consequence of spontaneous symmetry breaking. A gap in the spectrum is calculated depending on the magnitude of on-site Coulomb repulsion and the width of the band for the chain, as well as for square and cubic lattices. The proposed approach allows us to describe the formation of the gap in the fermion spectra in the Hubbard and Falicov-Kimball models within the framework of the same mechanism for an arbitrary dimension of the system.
In the framework of mean field approach, we study topological Mott transition in a two band model of spinless fermions on a square lattice at half filling. We consider the combined effect of the on-site Coulomb repulsion and the spin-orbit Rashba coupling. The ground state phase diagram is calculated as a function of the strength of the spin-orbit Rashba coupling and the Coulomb repulsion. The spin-orbit Rashba coupling leads to a distinct phase of matter, the topological semimetal. We study a new type of phase transition between the non-topological insulator and topological semimetal states. …
We reconsider the Mott transition problem in the presence of long range Coulomb interactions. Using an extended DMFT, that sums an important class of diagrams absent in ordinary DMFT, we show that in the presence of Coulomb the Mott transition in two and three dimensions is discontinuous as envisioned by Mott.
We study the behavior of fermion liquid defined on hexagonal and triangular lattices with short-range repulsion at half filling. In strong coupling limit the Mott-Hubbard phase state is present, the main peculiarity of insulator state is a doubled cell of the lattices. In the insulator state at half filling fermions with momenta $k$ and $k+π$ are coupled via the effective $λ$-field, the gap in the spectrum of quasi-particle excitations opens and the Mott phase transition is occured at a critical value of the one-site Hubbard repulsion~$U_c$. $U_c=3.904$ and $U_c=5.125$ are calculated values fo…
We study antiferromagnetism and single-particle properties in the two-dimensional half-filled Hubbard model at low temperature. Collective spin fluctuations are governed by a non-linear sigma model that we derive from the Hubbard model for any value of the Coulomb repulsion. As the Coulomb repulsion increases, the ground state progressively evolves from a Slater to a Mott-Heisenberg antiferromagnet. At finite temperature, we find a metal-insulator transition between a pseudogap phase at weak coupling and a Mott-Hubbard insulator at strong coupling.
We investigate the effect of on-site Coulomb repulsion $U$ on the band gap of the electrically gated bilayer graphene by employing coherent potential approximation in the paramagnetic state, based on an ionic two-layer Hubbard model. We find that, while either the on-site Coulomb repulsion $U$ or the external perpendicular electric field $E$ alone will favor a gapped state in the bilayer graphene, competition between them will surprisingly lead to a suppression of the gap amplitude. Our results can be applied to understand the discrepancies of gap size reported from optical and transport measu…
A tight binding model of electrons interacting via bare Coulomb repulsion is numerically investigated by use of the Density Matrix Renormalization Group method which we prove applicable also to very long range potentials. From the analysis of the elementary excitations, of the spin and charge correlation functions and of the momentum distribution, a picture consistent with the formation of a one dimensional "Wigner crystal" emerges, in quantitative agreement with a previous bosonization study. At finite doping, Umklapp scattering is shown to be ineffective in the presence of long range forces.
With a variational three--body calculation we study the role of the interplay between the onsite Coulomb, Hund's rule, and superexchange interactions on the spinwave excitation spectrum of itinerant ferromagnets. We show that correlations between a Fermi sea electron--hole pair and a magnon result in a very pronounced zone boundary softening and strong deviations from the Heisenberg spinwave dispersion. We show that this spin dynamics depends sensitively on the Coulomb and exchange interactions and discuss its possible relevance to experiments in the manganites.
We show that in anharmonic one-dimensional crystal lattices pairing of electrons or holes in a localized bisolectron state is possible due to coupling between the charges and the lattice deformation that can overcompensate the Coulomb repulsion. Such localized soliton-like states appear as traveling ground bound singlet states of two extra electrons in the potential well created by the local lattice deformation. We also find the first excited localized state of two electrons in a soliton-like lattice deformation potential well given by a triplet state of two electrons. The results of the analy…
Recently, the field of strongly correlated electrons has begun an intense search for a correlation induced topological insulating phase. An example is the quadratic band touching point which arises in a checkerboard lattice at half-filling, and in the presence of interactions gives rise to topological Mott insulators. In this work, we perform a mean-field theory computation to show that such a system shows instability to topological insulating phases even away from half-filling (chemical potential $μ= 0 $). The interaction parameters consist of on-site repulsion ($ U $), nearest-neighbour repu…
We present our theoretical results on an effective two-band double-exchange model on a pyrochlore lattice for understanding intricate phase competition in Mo pyrochlore oxides. The model includes the twofold degeneracy of $e_g'$ orbitals under trigonal field splitting, the interorbital Coulomb repulsion, the Hund's-rule coupling between itinerant $e_g'$ electrons and localized $a_{1g}$ spins, and the superexchange antiferromagnetic interaction between the $a_{1g}$ spins. By Monte Carlo simulation with treating the Coulomb repulsion at an unrestricted-type mean-field level, we obtain the low-te…
The non-crossing approximation (NCA) is generalized for the Anderson model with finite Coulomb repulsion U. Resummation of infinite number of terms is performed so as to incorporate all leading contributions in the limit of large degeneracy of the local states. With negligible weight of the doubly occupied local states in equilibrium, the extension is achieved through simple modifications of the lowest order formulae. The single-particle excitation spectrum is calculated with almost the same computational effort as in the original NCA. The present scheme reproduces the scaling behavior of the …
We examine how the electron correlation affects the electron-phonon (EP) interaction in the linear optical absorption spectrum of the one-dimensional (1D) extended Hubbard-Holstein model. A density matrix renormalization group (DMRG) calculation shows that the effect of the EP interaction on an exciton is enhanced by increasing the on-site Coulomb repulsion. This enhancement is in contrast to the effect of the EP interaction on the ground state where the Peierls instability is suppressed by the on-site Coulomb repulsion. The DMRG data with the EP interaction fit with absorption experiments in …
Employing large-scale quantum Monte Carlo simulations, we reveal the full phase diagram of the extended Hubbard model of hard-core bosons on the pyrochlore lattice with partial fillings. When the intersite repulsion is dominant, the system is in a cluster Mott insulator phase with an integer number of bosons localized inside the tetrahedral units of the pyrochlore lattice. We show that the full phase diagram contains three cluster Mott insulator phases with 1/4, 1/2, and 3/4 boson fillings, respectively. We further demonstrate that all three cluster Mott insulators are Coulomb liquid phases an…
We study electric transport near the Mott metal-insulator transition in a triangular-lattice Hubbard model at half filling. We calculate optical conductivity $σ(ω)$ based on a cellular dynamical mean field theory including vertex corrections inside the cluster. Near the Mott critical end point, a Drude analysis in the metallic region suggests that the change in the Drude weight is important rather than that in the transport scattering rate for the Mott transition. In the insulating region, there emerges an "ingap" peak in $σ(ω)$ at low $ω$ near the Mott transition, and this smoothly connects t…
Electron--electron repulsion, on the one hand, can result in bound pair, which has heavy effective mass. On the other hand, it is also the cause of Mott insulator. We study the effect of a staggered magnetic field on a Hubbard model. We find that a bound pair with large energy bandwidth can be formed under the resonant staggered field, being the half of Hubbard repulsion strength. Accordingly, the system exhibits following dynamical behaviors: (i) When an electric field is applied, fast bound pair Bloch oscillation occurs, while a single electron is frozen. (ii) When a quenching resonant field…
We study the difference between on site Hubbard and long range Coulomb repulsions for two interacting particles in a disordered chain. While Hubbard repulsion can only yield weak critical chaos with intermediate spectral statistics, Coulomb repulsion can drive the two particle system to quantum chaos with Wigner-Dyson spectral statistics. For intermediate strengths U of the two repulsions in one dimension, there is a crossover regime where delocalization and spectral rigidity are maximum, whereas the limits of weak and strong U are characterized by a stronger localization and uncorrelated ener…
The boson-fermion model, describing a mixture of itinerant electrons hybridizing with tightly bound electron pairs represented as hard-core bosons, is here generalized with the inclusion of a term describing on-site Coulomb repulsion between fermions with opposite spins. Within the general framework of the Dynamical Mean-Field Theory, it is shown that around the symmetric limit of the model this interaction strongly competes with the local boson-fermion exchange mechanism, smoothly driving the system from a pseudogap phase with poor conducting properties to a metallic regime characterized by a…
We study how the Kondo effect is affected by the Coulomb interaction between conduction electrons on the basis of a simplified model. The single impurity Anderson model is extended to include the Coulomb interaction on the nearest-neighbour ligand orbital. The excitation spectra are calculated using the numerical renormalization group method. The effective bandwidth on the ligand orbital, $D^{eff}$, is defined to classify the state. This quantity decreases as the Coulomb interaction increases. In the $D^{eff} > Δ$ region, the low energy properties are described by the Kondo state, where $Δ$ is…
We introduce the notion of superstructure Mottness to describe the Mott and Wigner-Mott transition in doped strongly correlated electron systems at commensurate filling fractions away from one electron per site. We show that superstructure Mottness emerges in an inhomogeneous electron system when the superstructure contains an odd number of electrons per supercell. We argue that superstructure Mottness exists even in the absence of translation symmetry breaking by a superlattice, provided that the extended or intersite Coulomb interaction is strong. In the latter case, superstructure Mottness …
Strong correlation effects, such as a dramatic increase in the effective mass of the carriers of electricity, recently observed in the low density electron gas have provided spectacular support for the existence of a sharp metal-insulator transitions in dilute two dimensional electron gases. Here we show that strong correlations, normally expected only for narrow integer filled bands, can be effectively enhanced even far away from integer filling, due to incipient charge ordering driven by non-local Coulomb interactions. This general mechanism is illustrated by solving an extended Hubbard mode…
The ground state properties of a paramagnetic Mott insulator are investigated in the presence of an external electrical field using the inhomogeneous Gutzwiller approximation for a single band Hubbard model in a slab geometry. The metal insulator transition is shifted towards higher Hubbard repulsions by applying an electric field perpendicular to the slab. The spatial distribution of site dependent quasiparticle weight shows that the quasiparticle weight is maximum in few layers beneath the surface. Moreover only at higher Hubbard repulsion, larger than the bulk critical U, the electric field…
We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model description of correlated organic materials. In such a model only the electrons in levels close to the Fermi level are included explicitly, while the effect of all other electrons is included as a renormalization of the model parameters. For the Coulomb integrals this renormalization is mainly due to screening. For molecular materials we can split the screening into i…
The nearest-neighbor superexchange-mediated mechanism for d_{x^2-y^2}-wave superconductivity in the one-band Hubbard model faces the challenge that nearest-neighbor Coulomb repulsion can be larger than superexchange. To answer this question, we use cellular dynamical mean-field theory (CDMFT) with a continuous-time quantum Monte Carlo solver to determine the superconducting phase diagram as a function of temperature and doping for on-site repulsion $U=9t$ and nearest-neighbor repulsion $V=0,2t,4t$. In the underdoped regime, $V$ increases the CDMFT superconducting transition temperature $T_c^d$…
At strong repulsion, the triangular-lattice Hubbard model is described by $s=1/2$ spins with nearest-neighbor antiferromagnetic Heisenberg interactions and exhibits conventional 120$^\circ$ order. Using the infinite density matrix renormalization group and exact diagonalization, we study the effect of the additional four-spin interactions naturally generated from the underlying Mott-insulator physics of electrons as the repulsion decreases. Although these interactions have historically been connected with a gapless ground state with emergent spinon Fermi surface, we find that at physically rel…
We study the low energy behavior of the one dimensional Hubbard model across the Mott metal-insulator phase transition in an external magnetic field. In particular we calculate elements of the dressed charge matrix at the critical point of the Mott transition for arbitrary Hubbard repulsion and magnetization numerically and, in certain limiting cases, analytically. These results are combined with a non-perturbative effective field theory approach to reveal how the breaking of time reversal symmetry influences the Mott transition.
Metal insulator transitions driven by local Coulomb interactions are among the most fascinating phenomena in condensed matter physics. They occur in a large variety of transition metal compounds. Most of these strongly correlated materials consist of valence bands derived from electronic d shells where intra- and inter-orbital Coulomb interactions are equally important and where the crystal structure splits the valence bands into narrow and wide subbands. A fundamental question is whether these systems exhibit a common Mott transition, implying all subbands to be either metallic or insulating,…
We discuss a reduction of superconducting transition temperature by the intersite Coulomb repulsion for the d-wave pairing in cuprates. We compare the results found for the spin-fermion model and the extended Hubbard model. We argue that in both the models the d-wave superconducting transition temperature is reduced by the Coulomb repulsion of holes in different unit cells. We also show that in the strong correlation limit the s-wave superconductivity cannot occur due to the kinematic restriction of no double occupancy in the Hubbard subbands.
The influence of short-range Coulomb correlations on the Mott transition in the single-band Hubbard model at half-filling is studied within cellular dynamical mean field theory for square and triangular lattices. Finite-temperature exact diagonalization is used to investigate correlations within two-, three-, and four-site clusters. Transforming the non-local self-energy from a site basis to a molecular orbital basis, we focus on the inter-orbital charge transfer between these cluster molecular orbitals in the vicinity of the Mott transition. In all cases studied, the charge transfer is found …
We consider an electronic model for realizing the Spin Bose-metal (SBM) phase on a 2-leg triangular strip --a spin liquid phase found by D. N. Sheng et al [Phys. Rev. B {\bf 79}, 205112 (2009)] in a spin-1/2 model with ring exchanges. The SBM can be viewed as a "C1S2" Mott insulator of electrons where the overall charge transporting mode is gapped out. We start from a two-band "C2S2" metal and consider extended repulsion motivated by recent ab initio derivation of electronic model for $κ$-ET spin liquid material [K. Nakamura et al, J. Phys. Soc. Jpn. {\bf 78}, 083710(2009)]. Using weak couplin…
The double exchange model with on-site Coulomb repulsion is considered. Schwinger-bosons representation of the localized spins is used and two spin-singlet Fermion operators are introduced. In terms of the new Fermi fields the on-site Hund's interaction is in a diagonal form and the true magnons of the system are identified. The singlet fermions can be understood as electrons dressed by a cloud of repeatedly emitted and reabsorbed magnons. Rewritten in terms of Schwinger-bosons and spin-singlet fermions the theory is U(1) gauge invariant. We show that spontaneous breakdown of the gauge symmetr…
Gutzwiller variational method is applied to an effective two-dimensional Hubbard model to examine the recently proposed gossamer superconductor by Laughlin. The ground state at half filled electron density is a gossamer superconductor for smaller intra-site Coulomb repulsion U and a Mott insulator for larger U. The gossamer superconducting state is similar to the resonant 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.
We study the effect of Coulomb repulsion between oxygen holes on the London penetration depth $λ$ based on the concept of spin-polaron nature of Fermi quasiparticles in cuprates superconductors. It is shown that for the generally accepted values of the parameters of the spin-fermion model, taking into account the Coulomb interaction, both the one-site Hubbard $U_p$ and interaction between the holes on next-nearest-neighbor oxygen ions $V_2$, allows one to achieve a much better agreement of the calculated temperature dependencies of the value $λ^{-2}$ with the experimental data in La$_{2-x}$Sr$…
We introduce a novel extension of the Gutzwiller variational wavefunction able to deal with insulators that escape any mean-field like description, as for instance non-magnetic insulators. As an application, we study the Mott transition from a paramagnetic metal into a non-magnetic Peierls, or valence-bond, Mott insulator. We analyze this model by means of our Gutzwiller wavefunction analytically in the limit of large coordination lattices, where we find that: (1) the Mott transition is first order; (2) the Peierls gap is large in the Mott insulator, although it is mainly contributed by the el…
We study the interplay between spin-orbit coupling (SOC) and Coulomb repulsion in a Hubbard model on a decorated honeycomb lattice which leads to a plethora of phases. While a quantum spin hall insulator is stable at weak Coulomb repulsion and moderate SOC, a semimetallic phase emerges at large SOC in a broad range of Coulomb repulsion. This semimetallic phase has topological properties not observed in conventional metals such as a finite, non-quantized spin Hall conductivity. At large Coulomb repulsion and negligible spin-orbit coupling, electronic correlations stabilize a resonance valence b…
We have analysed the effect of intrinsic doping inhomogeneity and the presence of stripes in high-T_c superconductors on coupling λby using a simple analytically solvable model with an angular dependent λ(ϕ) represented by a square-well form. We have found that the introduction of the Coulomb repulsion λ_C, increasing the ''contrast'' | λ| + | λ_C |, or the depth of the angular modulation of λ(ϕ), leads to a remarkable enhancement of T_c. This effect can be optimized by combining attractive (λ<0) and repulsive (λ>0) interactions along stripes and perpendicular to them.
We study analytically and numerically dynamics and eigenstates of two electrons with Coulomb repulsion on a tight-binding lattice in one and two dimensions. The total energy and momentum of electrons are conserved and we show that for a certain momentum range the dynamics is exactly reduced to an evolution in an effective narrow energy band where the energy conservation forces the two electrons to propagate together through the whole system at moderate or even weak repulsion strength. We argue that such a mechanism of electron pair formation by the repulsive Coulomb interaction is rather gener…
Dynamic cluster quantum Monte Carlo calculations for a doped two-dimensional extended Hubbard model are used to study the stability and dynamics of $d$-wave pairing when a near neighbor Coulomb repulsion $V$ is present in addition to the on-site Coulomb repulsion $U$. We find that $d$-wave pairing and the superconducting transition temperature $T_c$ are only weakly suppressed as long as $V$ does not exceed $U/2$. This stability is traced to the strongly retarded nature of pairing that allows the $d$-wave pairs to minimize the repulsive effect of $V$. When $V$ approaches $U/2$, large momentum c…
The majority of fulleride superconductors with unusually high transition-temperature to kinetic-energy ratios have a face-centred-cubic (FCC) structure. We demonstrate that, within extended Hubbard models with strong Coulomb repulsion, paired fermions in FCC lattices have qualitatively different properties than pairs in other three-dimensional cubic lattices. Our results show that strongly bound, light, and small pairs can be generated in FCC lattices across a wide range of the parameter space. We estimate that such pairs can Bose condense at high temperatures even if the lattice constant is l…
Filling-control metal-insulator transition on the two-dimensional Hubbard model is investigated by using the correlator projection method, which takes into account momentum dependence of the free energy beyond the dynamical mean-field theory. The phase diagram of metals and Mott insulators is analyzed. Lifshitz transitions occur simultaneously with metal-insulator transitions at large Coulomb repulsion. On the other hand, they are separated each other for lower Coulomb repulsion, where the phase sandwiched by the Lifshitz and metal-insulator transitions appears to show violation of the Lutting…
We investigate via LDA+DMFT (local density approximation combined with dynamical mean field theory) the manifestation of correlation effects in a wide range of binding energies in the hole-doped family of Fe-pnictides $A$Fe$_2$As$_2$ ($A={\rm K}$, Rb, Cs) as well as the fictitious FrFe$_2$As$_2$ and $a$-axis stretched CsFe$_2$As$_2$. This choice of systems allows for a systematic analysis of the interplay of Hund's coupling $J_H$ and on-site Coulomb repulsion $U$ in multi-orbital Fe-pnictides under negative pressure. With increasing ionic size of the alkali metal, we observe a non-trivial chan…
We consider the bipolaron in the Pekar--Tomasevich approximation and address the question whether the ground state is spherically symmetric or not. Numerical analysis has, so far, not completely settled the question. Our contribution is to prove rigorously that the ground state remains spherical for small values of the electron-electron Coulomb repulsion.
Using non-perturbative theoretical method, we address the problem of strong correlations in twisted bilayer-layer graphene at the magic angle. We concentrate on the solution without symmetry breaking, where conventional Mott insulating state is expected for all integer fillings. At Coulomb repulsion corresponding to dielectric constant $\varepsilon\approx 5$ and several integer fillings we find a Mott-semiconducting state, which simultaneously hosts the Mott state, and inside the Mott gap, a second much smaller semiconduting gap. The presence of these Mott-ingap states, which are located at th…
Realization of a Wigner-Mott insulator in 6R-TaS$_2$ superconductor
Beijing National Center for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所（北京凝聚态物理国家研究中心））；School of Physical Sciences, University of Chinese Academy of Sciences（中国科学院大学物理科学学院）；Hefei National Laboratory（合肥国家实验室）；Department of Physics, Boston College（波士顿学院物理系）
We focus our quantitative analysis on the stability of the insulator state in the Hubbard model at a half-filling. Taking into account large-scale fluctuations (with a long relaxation time) of the on-site Coulomb repulsion, we consider the possibility of realizing a stabile state which is characterized by pairing for electrons. The pairing mechanism is as follows: due to fluctuations of on-site repulsion of electrons, holes, as excited states, are formed electron pairs. The bare values of on-site Coulomb repulsion and its fluctuations, for which the states with electron pairing are stable, are…
Using an \textit{ab initio} approach based on the GW approximation which includes strong local \textbf{k}-space correlations, the Metal-Insulator Transition of M$_2$ vanadium dioxide is broken down into its component parts and investigated. Similarly to the M$_{1}$ structure, the Peierls pairing of the M$_{2}$ structure results in bonding-antibonding splitting which stabilizes states in which the majority of the charge density resides on the Peierls chain. This is insufficient to drop all of the bonding states into the lower Hubbard band however. An antiferroelectric distortion on the neighbor…
We study the Mott metal-insulator transition in the two-band Hubbard model with different hopping amplitudes $t_1$ and $t_2$ for the two orbitals on the two-dimensional square lattice by using {\it non-magnetic} variational wave functions, similarly to what has been considered in the limit of infinite dimensions by dynamical mean-field theory. We work out the phase diagram at half filling (i.e., two electrons per site) as a function of $R=t_2/t_1$ and the on-site Coulomb repulsion $U$, for two values of the Hund's coupling $J=0$ and $J/U=0.1$. Our results are in good agreement with previous dy…
Interacting fermions on the half-filled honeycomb lattice with short-range repulsions have been suggested to host a variety of interesting many-body ground states, e.g., a topological Mott insulator. A number of recent studies of the spinless case in terms of exact diagonalization, the infinite density matrix renormalization group and the functional renormalization group, however, indicate a suppression of the topological Mott insulating phase in the whole range of interaction parameters. Here, we complement the previous studies by investigating the quantum many-body instabilities of the physi…
We study a lattice bipolaron on a staggered triangular ladder and triangular and hexagonal lattices with both long-range electron-phonon interaction and strong Coulomb repulsion using a novel continuous-time quantum Monte-Carlo (CTQMC) algorithm extended to the Coulomb-Frohlich model with two particles. The algorithm is preceded by an exact integration over phonon degrees of freedom, and as such is extremely efficient. The bipolaron effective mass and bipolaron radius are computed. Lattice bipolarons on such lattices have a novel crablike motion, and are small but very light in a wide range of…
We study the effect of interlayer Coulomb interaction in an electronic double layer. Assuming that each of the layers consists of a bipartite lattice, a sufficiently strong interlayer interaction leads to an interlayer pairing of electrons with a staggered order parameter. We show that the correlated pairing state is dual to the excitonic pairing state with uniform order parameter in an electron-hole double layer. The interlayer pairing of electrons leads to strong current-current correlations between the layers. We also analyze the interlayer conductivity and the fluctuations of the order par…
The $t_{2g}$ orbitals of an edge-shared transition-metal oxide with a honeycomb lattice structure form dispersionless electronic bands when only hopping mediated by the edge-sharing oxygens is accessible. This is due to the formation of isolated quasimolecular orbitals (QMOs) in each hexagon, introduced recently by Mazin et al. [Phys. Rev. Lett. 109, 197201 (2012)], which stabilizes a band insulating phase for $t_{2g}^5$ systems. However, with help of the exact diagonalization method to treat the electron kinetics and correlations on an equal footing, we find that the QMOs are fragile against …
We find that isoelectronic disorder destroys the spectral gap in a Mott-Hubbard insulator in 2D leading, most unexpectedly, to a new metallic phase. This phase is spatially inhomogeneous with metallic behavior coexisting with antiferromagnetic long range order. Even though the Mott gap in the pure system is much larger than antiferromagnetic exchange, the spectral gap is destroyed locally in regions where the disorder potential is high enough to overcome the inter-electron repulsion thereby generating puddles where charge fluctuations are enhanced. With increasing disorder, these puddles expan…
Recent experiments on vanadium-based nonmagnetic kagomé metals $A$V$_3$Sb$_5$ ($A=$ K, Rb, Cs) revealed evidence for possible spontaneous time-reversal symmetry (TRS) breaking in the charge density wave (CDW) ordered state. The long-sought-after quantum order of loop currents has been suggested as a candidate for the TRS breaking state. However, a microscopic model for the emergence of the loop-current CDW due to electronic correlations is still lacking. Here, we calculate the susceptibility of the real and imaginary bond orders on the kagomé lattice near van Hove filling, and reveal the impor…
The magnetic properties and Mott transition of the Hubbard model on the square lattice with frustration are studied at half-filling and zero temperature by the variational cluster approximation. When the on-site repulsion $U$ is large, magnetically disordered state is realized in highly frustrated region between the Néel and collinear phases, and no imcommensurate magnetic states are found there. As for the Mott transition, in addition to the Mott gap and double occupancy, which clarify the nature of the transition, the structure of the self-energy in the spectral representation is studied in …
We theoretically investigate pump-probe optical responses in the two-dimensional extended Hubbard model describing cuprates by using a time-dependent Lanczos method. At half filling, pumping generates photoinduced absorptions inside the Mott gap. A part of low-energy absorptions is attributed to the independent propagation of photoinduced holons and doublons. The spectral weight just below the Mott gap increases with decreasing the on-site Coulomb interaction $U$. We find that the next-nearest-neighbor Coulomb interaction $V_1$ enhances this $U$ dependence, indicating the presence of biexciton…
