We investigate the two-dimensional Hubbard model with next-nearest-neighbor hopping, t', using the dynamical cluster approximation. We confirm the existence of a first-order phase-separation transition terminating at a second-order critical point at filling n_c(t') and temperature T_ps(t'). We find that as t' approaches zero, T_ps(t') vanishes and n_c(t') approaches the filling associated with the quantum critical point separating the Fermi liquid from the pseudogap phase. We propose that the quantum critical point under the superconducting dome is the zero-temperature limit of the line of second-order critical points.
We study superconductivity in two-band models where one of the bands does or does not intersect the Fermi level depending on the parameter values. Applying a many-variable variational Monte-Carlo method for a Hubbard model on two-leg ladder and bilayer square lattices, we show that superconductivity can be enhanced in a parameter regime where the edge of one of the bands is near the Fermi energy, that is, when the band is incipient. The resemblence of the present results to those obtained by a weak coupling method in a recent study suggests that, even in the large $U$ regime, the suppression o…
We study the spin-fluctuation-mediated $s\pm$-wave superconductivity in the bilayer Hubbard model with vertical and diagonal interlayer hoppings. As in the two-leg ladder model with diagonal hoppings, studied previously by the present authors, superconductivity is strongly enhanced when one of the bands lies just below (or touches) the Fermi level, that is, when the band is incipient. The strong enhancement of superconductivity is because large weight of the spin fluctuations lies in an appropriate energy range, whereas the low energy, pair-breaking spin fluctuations are suppressed. The optimi…
Fully occupied or unoccupied bands in a solid are often considered inert and irrelevant to a material's low-energy properties. But the discovery of enhanced superconductivity in heavily electron-doped FeSe-derived superconductors poses questions about the possible role of incipient bands (those laying close to but not crossing the Fermi level) in pairing. To answer this question, researchers have studied pairing correlations in the bilayer Hubbard model, which has an incipient band for large interlayer hopping $t_\perp$, using many-body perturbation theory and variational methods. They have ge…
Transport measurements on the cuprates suggest the presence of a quantum critical point hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single particle quantities, such as the spectral function, the quasiparticle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a non-Fermi liquid with a pseudogap at high filling. Both states are found to cross over to a mar…
We study electric transport near the Mott metal-insulator transition. Optical conductivity of the half-filled Hubbard model on a triangular lattice is calculated based on a cellular dynamical mean field theory including vertex corrections inside the cluster. By investigating the spectrum at low frequencies, we find that a Drude peak on the metallic side smoothly connects to an "ingap" peak on the insulating side. The optical weight of these peaks exhibits a critical behavior with power-law near the Mott critical end point, $|D-D^*|\propto|U-U^*|^{1/δ}$. We find that the critical exponent $1/δ$…
The extent to which quantum criticality drives the physics of iron pnictides is a central question in the field. Earlier theoretical considerations were based on an effective field theory, and the proposed realization in P-doped iron arsenides has received extensive experimental evidence. To connect the quantum critical behavior with the underlying electronic physics, it is important to analyze it within microscopic models. Here, we do so for a multi-orbital model containing both Hubbard and Hund's interactions, by a variational Monte Carlo method based on Jastrow-Slater wave functions that al…
The generic phase diagram of lightly hole-doped high-$T_c$-cuprates hosts antiferromagnetic insulating phase with well-defined spin-wave excitations. Contrary to the weak-coupling prediction, these modes persist up to the overdoped metallic regime as intense and dispersive paramagnons. Here we report on our study of the low-energy magnetic and charge excitations within the extended Hubbard model at strong-coupling, using a modified $1/N$ expansion method with a variational state serving as the saddle point solution. Despite clear separation of magnetic and Hubbard-$U$ energy scales, we find th…
Theoretical proposal of superconductivity in hole-doped reduced bilayer nickelate La3Ni2O6: a manifestation of orbital-space bilayer model with incipient bands
The University of Osaka（大阪大学）；Tottori University（鸟取大学）
Bad-Metal (BM) behavior featuring linear temperature dependence of the resistivity extending to well above the Mott-Ioffe-Regel (MIR) limit is often viewed as one of the key unresolved signatures of strong correlation. Here we associate the BM behavior with the Mott quantum criticality by examining a fully frustrated Hubbard model where all long-range magnetic orders are suppressed, and the Mott problem can be rigorously solved through Dynamical Mean-Field Theory. We show that for the doped Mott insulator regime, the coexistence dome and the associated first-order Mott metal-insulator transiti…
We present evidence for Mott quantum criticality in an anisotropic two-dimensional system of coupled Hubbard chains at half-filling. In this scenario emerging from variational cluster approximation and cluster dynamical mean-field theory, the interchain hopping $t_{\perp}$ acts as a control parameter driving the second-order critical end point $T_c$ of the metal-insulator transition down to zero at $t_{\perp}^{c}/t\simeq 0.2$. Below $t_{\perp}^{c}$, the volume of the hole and electron Fermi pockets of a compensated metal vanishes continuously at the Mott transition. Above $t_{\perp}^{c}$, the …
We derive exact expressions for the local entanglement entropy E in the ground state of the one-dimensional Hubbard model at a quantum phase transition driven by a change in magnetic field h or chemical potential u. The leading divergences of dE/dh and dE/du are shown to be directly related to those of the zero-temperature spin and charge susceptibilities. Logarithmic corrections to scaling signal a change in the number of local states accessible to the system as it undergoes the transition.
We present a correlated {\it ab initio} description of the paramagnetic phase of Tl$_2$Mn$_2$O$_7$, employing a combined local density approximation (LDA) with multiorbital dynamical mean field theory (DMFT) treatment. We show that the insulating state observed in this colossal magnetoresistance (CMR) pyrochlore is determined by strong Mn intra- and inter-orbital local electron-electron interactions. Hybridization effects are reinforced by the correlation-induced spectral weight transfer. Our result coincides with optical conductivity measurements, whose low energy features are remarkably acco…
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…
We study dynamical phase transitions from antiferromagnetic to paramagnetic states driven by an interaction quench in the fermionic Hubbard model using the nonequilibrium dynamical mean-field theory. We identify two dynamical transition points where the relaxation behavior qualitatively changes: one corresponds to the thermal phase transition at which the order parameter decays critically slowly in a power law $\propto t^{-1/2}$, and the other is connected to the existence of nonthermal antiferromagnetic order in systems with effective temperature above the thermal critical temperature. The fr…
We study the Hubbard model on the honeycomb lattice in the vicinity of the quantum critical point by means of a multiband formulation of the Dual Fermion approach. Beyond the strong local correlations of the dynamical mean field, critical fluctuations on all length scales are included by means of a ladder diagram summation. Analysis of the susceptibility yields an estimate of the critical interaction strength of the quantum phase transition from a paramagnetic semimetal to an antiferromagnetic insulator, in good agreement to other numerical methods. We further estimate the crossover temperatur…
We numerically investigate the critical behavior of the Hubbard model on the honeycomb and the $π$-flux lattice, which exhibits a direct transition from a Dirac semimetal to an antiferromagnetically ordered Mott insulator. We use projective auxiliary-field quantum Monte Carlo simulations and a careful finite-size scaling analysis that exploits approximately improved renormalization-group-invariant observables. This approach, which is successfully verified for the three-dimensional XY transition of the Kane-Mele-Hubbard model, allows us to extract estimates for the critical couplings and the cr…
Recent studies of electrical transport, both theoretical and experimental, near the bandwidth-tuned Mott metal-insulator transition have uncovered apparent quantum critical scaling of the electrical resistivity at elevated temperatures, despite the fact that the actual low-temperature phase transition is of first order. This raises the question whether there is a hidden Mott quantum critical point. Here we argue that the dynamical mean-field theory of the Hubbard model admits, in the low-temperature limit, asymptotically scale-invariant (i.e. power-law) solutions, corresponding to the metastab…
Large scale neural quantum states reveal the interplay between superconductivity and quantum criticality in the Hofstadter-Hubbard model
Center for Computational Quantum Physics, Flatiron Institute（Flatiron研究所计算量子物理中心）；Department of Physics, Columbia University（哥伦比亚大学物理系）；Center for Quantum Phenomena, Department of Physics, New York University（纽约大学物理系量子现象中心）
In numerical simulations, spontaneously broken symmetry is often detected by computing two-point correlation functions of the appropriate local order parameter. This approach, however, computes the square of the local order parameter, and so when it is {\it small}, very large system sizes at high precisions are required to obtain reliable results. Alternatively, one can pin the order by introducing a local symmetry breaking field, and then measure the induced local order parameter infinitely far from the pinning center. The method is tested here at length for the Hubbard model on honeycomb lat…
Incipient magnetic instability in RuO$_2$ with random phase approximation
Department of Condensed Matter Physics, Faculty of Science, Masaryk University（马萨里克大学理学院凝聚态物理系）；Institute of Physics, Czech Academy of Sciences（捷克科学院物理研究所）
Motivated by the nematic electronic fluid phase in Sr_{3}Ru_{2}O_{7}, we develop a combined scheme of the renormalization-group method and the random-phase-approximation-type method, and analyze orbital susceptibilities of the (d_{xz},d_{yz})-orbital Hubbard model with high accuracy. It is confirmed that the present model exhibits a ferro-orbital instability near the magnetic or superconducting quantum criticality, due to the Aslamazov-Larkin-type vertex corrections. This mechanism of orbital nematic order presents a natural explanation for the nematic order in Sr_{3}Ru_{2}O_{7}, and is expect…
We show that the dilute Fermi gas quantum critical universality class quantitatively describes the Mott/metal crossover of the two-dimensional Hubbard model for temperatures somewhat less than (roughly half) the tunneling but much greater than (roughly twice) the superexchange energy. We calculate the observables expected to be universal near the transition --- density and compressibility --- with numerically exact determinantal quantum Monte Carlo. We find they are universal functions of the chemical potential. Despite arising from the strongly correlated regime of the Hubbard model, these fu…
Using the dynamical cluster approximation, we calculate the correlation functions associated with the nearest neighbor bond operator which measure the z component of the spin exchange in the two-dimensional Hubbard model with $U$ equal to the bandwidth. We find that in the pseudogap region, the local bond susceptibility diverges at T=0. This shows the existence of degenerate bond spin excitation and implies quantum criticality and bond order formation when long range correlations are considered. The strong correlation between excitations on parallel neighboring bonds suggests bond singlet dime…
To understand nontrivial edge electronic states in strongly-correlated metals such as cuprate superconductors, we study the two-dimensional Hubbard models with open edge boundary. The position-dependences of the spin susceptibility and the self-energy are carefully analyzed self-consistently, by using the fluctuation-exchange (FLEX) approximation. It is found that spin susceptibilities are strongly enlarged near the (1,1) open edge when the system is near the half-filling. The enhancement is large even if the negative feedback from the self-energy is considered in the FLEX approximation. The p…
Within the Hubbard-Holstein model, we evaluate the various crossover lines marking the opening of pseudogaps in the cuprates, which, in our scenario, are ruled by the proximity to a charge-ordering quantum criticality (stripe formation). We provide also an analysis of their isotopic dependencies, as produced by critical fluctuations. We find no isotopic shift of the temperature $T^0$ marked as a reduction of the quasiparticle density of states in various experiments, and a substantial positive shift of the pseudogap-formation temperature $T^*$. We infer that the superconducting critical temper…
We present a cluster dynamical mean-field treatment of the Hubbard model on a square lattice to study the evolution of magnetism and quasiparticle properties as the electron filling and interaction strength are varied. Our approach for solving the dynamical mean-field equations is an extension of Potthoff's "two-site" method [Phys. Rev. B. 64, 165114 (2001)] where the self-consistent bath is represented by a highly restricted set of states. As well as the expected antiferromagnetism close to half filling, we observe distortions of the Fermi surface. The proximity of a van Hove point and the in…
Recent experiments revealed that the plain $s$-wave state without any sign-reversal emerges in various metals near the magnetic criticality. To understand this counter-intuitive phenomenon, we study the gap equation for the multiorbital Hubbard-Holstein model, by analyzing the vertex correction (VC) due to the higher-order electron-correlation effects. We find that the phonon-mediated orbital fluctuations are magnified by the VC for the susceptibility ($χ$-VC). In addition, the charge-channel attractive interaction is enlarged by the VC for the coupling-constant ($U$-VC), which is significant …
A quantum critical point (QCP), separating the non-Fermi liquid region from the Fermi liquid, exists in the phase diagram of the 2D Hubbard model [Vidhyadhiraja et. al, Phys. Rev. Lett. 102, 206407 (2009)]. Due to the vanishing of the critical temperature associated with a phase separation transition, the QCP is characterized by a vanishing quasiparticle weight. Near the QCP, the pairing is enhanced since the real part of the bare d-wave p-p susceptibility exhibits algebraic divergence with decreasing temperature, replacing the logarithmic divergence found in a Fermi liquid [Yang et. al, Phys.…
We numerically investigate the quantum criticality of the chiral Heisenberg universality class with the total number of fermion components $N$=8 in terms of the Gross-Neveu theory. Auxiliary-field quantum Monte Carlo simulations are performed for the square lattice Hubbard model in the presence of a $d$-wave pairing field, inducing Dirac cones in the single particle spectrum. This property makes the model particularly interesting because it turns out to belong to the same universality class of the Hubbard model on the honeycomb lattice, that is the canonical model for graphene, despite the uni…
We study critical singularities in the d-wave-like superconducting phase of the hole-doped Hubbard model of repulsively interacting electrons, defined on a two-leg ladder, induced by a magnetic field applied parallel to the ladder plane. We argue that, provided the lowest energy spin excitations in doped ladders carry as well charge quantum numbers, the low temperature thermodynamic quantities, such as specific heat coefficient and magnetic susceptibility will show logarithmic singularities in quantum critical regime. This behavior is in drastic contrast with the magnetic field induced critica…
We study the entanglement entropy and entanglement spectrum of the paradigmatic Bose-Hubbard model, describing strongly correlated bosons on a lattice. The use of a controlled approximation - the slave-boson approach - allows us to study entanglement in all regimes of the model (and, most importantly, across its superfluid/Mott-insulator transition) at a minimal cost. We find that the area-law scaling of entanglement -- verified in all the phases -- exhibits a sharp singularity at the transition. The singularity is greatly enhanced when the transition is crossed at fixed, integer filling, due …
We study the two-orbital Hubbard model in the limit of vanishing kinetic energy. The phase diagram in the $V-J$ plane, with $V$ and $J$ denoting the interorbital hybridization and exchange coupling respectively, at half filling is obtained. A singlet(dimer)-triplet transition is found for a critical value of the ratio $V/J.$ The entropy of formation, both in the mode and in the particle picture, presents a jump as the same critical line in conformity with the suggested relation between criticality and entanglement.
A description of the electronic correlations contained in the Hubbard model on the square-lattice perturbed by very weak three-dimensional uniaxial anisotropy in terms of the residual interactions of charge $c$ fermions and spin-neutral composite two-spinon $s1$ fermions is used to access further information on the origin of quantum critical behavior in the hole-doped cuprate superconductors. Excellent quantitative agreement with their anisotropic linear-$ω$ one-electron scattering rate and normal-state linear-$T$ resistivity is achieved. Our results provide strong evidence that the normal-sta…
Resolving Quantum Criticality in the Honeycomb Hubbard Model
Tsung-Dao Lee Institute, Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education), School of Physics and Astronomy, Shanghai Jiao Tong University（上海交通大学李政道研究所、人工结构与量子控制教育部重点实验室、物理与天文学院）；Hefei National Laboratory（合肥国家实验室）
We forward here the case that the anomalous electron states found in cuprate superconductors and related systems are rooted in a deeply non-classical fermion sign structure. The collapse of Mottness as advocated by Phillips and supported by recent DCA results on the Hubbard model is setting the necessary microscopic conditions. The crucial insight is due to Weng who demonstrated that in the presence of Mottness the fundamental workings of quantum statistics changes and we will elaborate on the effects of this Weng statistics with an emphasis on characterizing these further using numerical meth…
Spontaneous phase separation instabilities with the formation of various types of charge and spin pairing (pseudo)gaps in $U>0$ Hubbard model including the {\it next nearest neighbor coupling} are calculated with the emphasis on the two-dimensional (square) lattices generated by 8- and 10-site Betts unit cells. The exact theory yields insights into the nature of quantum critical points, continuous transitions, dramatic phase separation instabilities and electron condensation in spatially inhomogeneous systems. The picture of coupled anti-parallel (singlet) spins and paired charged holes sugges…
We study the continuous bandwidth-controlled Mott transition in the two-dimensional single-band Hubbard model with a focus on the critical scaling behavior of charge and spin degrees of freedom. Using plaquette cluster dynamical mean-field theory, we find charge and spin criticality consistent with experimental results for organic conductors. In particular, the charge degree of freedom measured via the local density of states at the Fermi level shows a smoother transition than expected for the Ising universality class and in single-site dynamical mean-field theory, revealing the importance of …
A general understanding of quantum phase transitions in strongly correlated materials is still lacking. By exploiting a cutting-edge quantum many-body approach, the dynamical vertex approximation, we make an important progress, determining the quantum critical properties of the antiferromagnetic transition in the fundamental model for correlated electrons, the Hubbard model in three dimensions. In particular, we demonstrate that -in contradiction to the conventional Hertz-Millis-Moriya theory- its quantum critical behavior is driven by the Kohn anomalies of the Fermi surface, even when electro…
The ground-state phase diagram of the half-filled two-leg Hubbard ladder with inter-site Coulomb repulsions and exchange coupling is studied by using the strong-coupling perturbation theory and the weak-coupling bosonization method. Considered here as possible ground states of the ladder model are four types of density-wave states with different angular momentum (s-density-wave state, p-density-wave state, d-density-wave state, and f-density-wave state) and four types of quantum disordered states, i.e., Mott insulating states (S-Mott, D-Mott, S'-Mott, and D'-Mott states, where S and D stand fo…
The one-dimensional (1D) Hubbard model, describing electrons on a lattice with an on-site repulsive interaction, provides a paradigm for the physics of quantum many-body phenomena. Here by solving the thermodynamic Bethe ansatz equations we study the universal thermodynamics, quantum criticality and magnetism of the 1D attractive Hubbard model. We show that the compressibility and the susceptibility of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO)-like state obey simple additivity rules at low temperatures, indicating an existence of two free quantum fluids. The magnetic properties, such as magn…
There has been much recent progress on exotic surface critical behavior, yet the classical-quantum correspondence of special and extraordinary-log criticality remains largely unclear. Employing worm Monte Carlo simulations, we explore the surface criticality at an emergent superfluid-Mott insulator critical point in the Villain representation, which is believed to connect classical and quantum O(2) critical systems. We observe a special transition with the thermal and magnetic renormalization exponents $y_t=0.58(1)$ and $y_h=1.690(1)$ respectively, which are close to recent estimates from mode…
We consider fermions on a honeycomb lattice supplemented by a spin invariant interaction that dynamically generates a quantum spin Hall insulator. This lattice model provides an instance of Gross-Neveu Heisenberg criticality, as realized for example by the Hubbard model on the honeycomb lattice. Using auxiliary field quantum Monte Carlo simulations we show that we can compute with unprecedented precision susceptibilities of the order parameter. In O(N) Gross-Neveu transitions, the anomalous dimension of the bosonic mode grows as a function of N such that in the large-N limit it is of particula…
For doped two-dimensional Mott insulators in their normal state, the challenge is to understand the evolution from a conventional metal at high doping to a strongly correlated metal near the Mott insulator at zero doping. To this end, we solve the cellular dynamical mean-field equations for the two-dimensional Hubbard model using a plaquette as the reference quantum impurity model and continuous-time quantum Monte Carlo method as impurity solver. The normal-state phase diagram as a function of interaction strength $U$, temperature $T$, and filling $n$ shows that, upon increasing $n$ towards th…
We use a novel method of computing the third moment M_3 of the action of the 2+1-dimensional compact Higgs model in the adjoint representation with q=2 to extract correlation length and specific heat exponents nu and alpha, without invoking hyperscaling. Finite-size scaling analysis of M_3 yields the ratio (1+alpha)/nu and 1/nu separately. We find that alpha and nu vary along the critical line of the theory, which however exhibits a remarkable resilience of Z_2 criticality. We propose this novel universality class to be that of the quantum phase transition from a Mott-Hubbard insulator to a ch…
We analyze the three-point vertex function that describes the coupling of fermionic particle-hole pairs in a metal to spin or charge fluctuations at non-zero momentum. We consider Ward identities, which connect two-particle vertex functions to the self energy, in the framework of a Hubbard model. These are derived using conservation laws following from local symmetries. The generators considered are the spin density and particle density. It is shown that at certain antiferromagnetic critical points, where the quasiparticle effective mass is diverging, the vertex function describing the couplin…
To reveal the origin of the "nematic electronic fluid phase" in Sr$_3$Ru$_2$O$_7$, we apply the self-consistent vertex correction analysis to the ($d_{xz},d_{yz}$)-orbital Hubbard model. It is found that the Aslamazov-Larkin type vertex correction causes the strong coupling between spin and orbital fluctuations, which corresponds to the Kugel-Khomskii spin-orbital coupling in the local picture. Due to this mechanism, orbital nematic order with $C_2$ symmetry is induced by the magnetic quantum criticality in multiorbital systems, while this mechanism is ignored in the random-phase-approximation…
We investigate a quantum criticality of an antiferromagnetic phase transition in the Hubbard model on a square lattice with a $d$-wave pairing field by large-scale auxiliary-field quantum Monte Carlo simulations. Since the $d$-wave pairing filed induces Dirac cones in the non-interacting single-particle spectrum, the quantum criticality should correspond to the chiral Heisenberg universality class in terms of the Gross-Neveu theory, which is the same as those expected in the Hubbard model on the honeycomb lattice, despite the unit cells being different (e.g., they contain one and two sites, re…
Deconfined quantum criticality with emergent SO(5) symmetry in correlated systems remains elusive. Here, by performing numerically-exact state-of-the-art quantum Monte Carlo (QMC) simulations, we show convincing evidences of deconfined quantum critical points (DQCP) between antiferromagnetic and valence-bond-solid phases in the extended Hubbard model of fermions on the honeycomb lattice with large system sizes. We further demonstrate evidences of the SO(5) symmetry at the DQCP. It is important to note that the critical exponents obtained by finite-size scaling at the DQCP here are consistent w…
Using quantum Monte Carlo simulations, we show that the one-dimensional fermionic Hubbard model in a harmonic potential displays quantum critical behavior at the boundaries of a Mott-insulating region. A local compressibility defined to characterize the Mott-insulating phase has a non-trivial critical exponent. Both the local compressibility and the variance of the local density show universality with respect to the confining potential. We determine a generic phase diagram, that allows the prediction of the phases to be observed in experiments with ultracold fermionic atoms trapped on optical …
