Using the recently introduced multiloop extension of the functional renormalization group, we compute the frequency- and momentum-dependent self-energy of the two-dimensional Hubbard model at half filling and weak coupling. We show that, in the truncated-unity approach for the vertex, it is essential to adopt the Schwinger-Dyson form of the self-energy flow equation in order to capture the pseudogap opening. We provide an analytic understanding of the key role played by the flow scheme in correctly accounting for the impact of the antiferromagnetic fluctuations. For the resulting pseudogap, we present a detailed numerical analysis of its evolution with temperature, interaction strength, and loop order.
Cluster dynamical mean field methods are used to calculate the superconductivity-induced changes in the interplane conductivity and Raman scattering cross section of the two dimensional Hubbard model. When superconductivity emerges from the pseudogap, the superconducting response is found to be diminished in amplitude, broadened and, in the case of the interplane conductivity, shifted to higher frequency. The results are in agreement with data on high temperature copper-oxide superconductors indicating that the Hubbard model contains the essential low energy physics of the pseudogap and its in…
Recently developed numerical methods have enabled the explicit construction of the superconducting state of the Hubbard model of strongly correlated electrons in parameter regimes where the model also exhibits a pseudogap and a Mott insulating phase. $d_{x^2-y^2}$ symmetry superconductivity is found to occur in proximity to the Mott insulator, but separated from it by a pseudogapped nonsuperconducting phase. The superconducting transition temperature and order parameter amplitude are found to be maximal at the onset of the normal-state pseudogap. The emergence of superconductivity from the nor…
Angle-resolved photoemission spectra are calculated microscopically for the two-dimensional attractive Hubbard model. A system of self-consistent T-matrix equations are solved numerically in the real-time domain. The single-particle spectral function has a two-peak structure resulting from the presense of bound states. The spectral function is suppressed at the chemical potential, leading to a pseudogap-like behavior. At high temperatures and densities the pseudogap diminishes and finally disappears; these findings are similar to experimental observations for the cuprates.
Hund coupling in the degenerate five-band Hubbard model near n=6 occupancy is shown to give rise to a significant depletion of spectral weight above the Fermi level. Calculations within dynamical mean field theory combined with exact diagonalization reveal that this pseudogap is associated with a collective mode in the self-energy caused by spin fluctuations. The pseudogap is remarkably stable over a wide range of Coulomb and exchange energies, but disappears for weak Hund coupling. The implications of this phenomenon for optical spectra of iron pnictides are discussed.
In the hole-doped cuprates, the pseudogap refers to a suppression of the density of states at low energies, in the absence of superconducting long-range order. Numerous calculations of the Hubbard model show a pseudogap in the single-particle spectra, with striking similarities to photoemission and tunneling experiments on cuprates. However, no clear mechanism has been established. Here, we solve the Hubbard model on $2\times2$ clusters by exact diagonalization, with integration over twisted boundary conditions. A pseudogap is found in the single-particle density of states with the following c…
Cluster perturbation theory is applied to the two-dimensional Hubbard $t-t'-t''-U$ model to obtain doping and temperature dependent electronic spectral function with $4 \times 4$ and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I like electronic dispersion becomes more pronounced, the Fermi arc turns into large Fermi surface and the pseudogap clos…
Starting from the Hubbard model in the weak-coupling limit, we derive a spin-fermion model where the collective spin excitations are described by a non-linear sigma model. This result is used to compute the fermion spectral function $A({\bf k},ω)$ in the low-temperature regime where the antiferromagnetic (AF) coherence length is exponentially large (``renormalized classical'' regime). At the Fermi level, $A({\bf k}_F,ω)$ exhibits two peaks around $\pmΔ_0$ (with $Δ_0$ the mean-field gap), which are precursors of the zero-temperature AF bands, separated by a pseudogap.
The charge spin-separation, pseudogap formation and phase diagrams are studied in two and four site Hubbard clusters using analytical diagonalization and grand canonical ensemble method in a multidimensional parameter space of temperature, magnetic field, on-site Coulomb interaction ($U\ge 0$), and chemical potential. The numerically evaluated, exact expressions for charge and spin susceptibilities provide clear evidence for the existence of true gaps in the ground state and pseudogaps in a limited range of temperature. In particular, Mott-Hubbard type charge crossover, spin pseudogap and magn…
On the basis of Quantum Monte Carlo simulations of the two-dimensional Hubbard model which cover the doping range from the under- to the over-doped regime, we find that the single-particle spectral weight $A (\vec k,ω)$ qualitatively reproduces both the momentum ($d_{x^2-y^2}$--symmetry) and doping dependence of the pseudogap as found in photoemission experiments. The drastic doping dependence of the spin response $χ_{s} (\vec q,ω)$ which is sharp in both $\vec q (\approx(π,π))$ and $ω$ in the under-doped regime but broad and structureless otherwise, identifies remnants of the antiferromagneti…
We study the relationship between the pseudogap and Fermi-surface topology in the two-dimensional Hubbard model by means of the cellular dynamical mean-field theory. We find two possible mean-field metallic solutions on a broad range of interaction, doping and frustration: a conventional renormalized metal and an unconventional pseudogap metal. At half-filling, the conventional metal is more stable and displays an interaction-driven Mott metal-insulator transition. However, for large interaction and small doping, region that is relevant for cuprates, the pseudogap phase becomes the ground stat…
The transition between a metallic and a pseudogap phase in high-$T_c$ cuprate superconductors is the subject of experimental investigations but has not been settled theoretically, even within the context of the Hubbard model. We apply the Cluster Dynamical Impurity Approximation (CDIA) to the anisotropic Hubbard model on the square lattice at zero temperature and finite doping. This approach can detect a first-order transition between two metallic states: a pseudogap state at low doping, with a depleted density of states at the Fermi level, and a correlated metal at higher doping. This transit…
Using the dynamical cluster approximation and quantum monte carlo we calculate the single-particle spectra of the Hubbard model with next-nearest neighbor hopping $t'$. In the underdoped region, we find that the pseudogap along the zone diagonal in the electron doped systems is due to long range antiferromagnetic correlations. The physics in the proximity of $(0,π)$ is dramatically influenced by $t'$ and determined by the short range correlations. The effect of $t'$ on the low energy ARPES spectra is weak except close to the zone edge. The short range correlations are sufficient to yield a pse…
We study the magnetic and spectral properties of a single-band Hubbard model for the infinite-layer nickelate compound LaNiO$_2$. As spatial correlations turn out to be the key ingredient for understanding its physics, we use two complementary extensions of the dynamical mean-field theory to take them into account: the cellular dynamical mean-field theory and the dynamical vertex approximation. Additionally to the systematic analysis of the doping dependence of the non-Curie-Weiss behavior of the uniform magnetic susceptibility, we provide insight into its relation to the formation of a pseudo…
We analyze the interaction-induced renormalization of single-particle excitations in the two-dimensional Hubbard model at weak coupling using the Wick-ordered version of the functional renormalization group. The self energy is computed for real frequencies by integrating a flow equation with renormalized two-particle interactions. In the vicinity of hot spots, that is points where the Fermi surface intersects the umklapp surface, self energy effects beyond the usual quasi-particle renormalizations and damping occur near instabilities of the normal, metallic phase. Strongly enhanced renormalize…
We study the pseudogaps in the spectra of the half-filled 2D Hubbard model using both finite-size and dynamical cluster approximation (DCA) quantum Monte Carlo calculations. A charge pseudogap, accompanied by non-Fermi liquid behavior in the self energy, is shown to persist in the thermodynamic limit. The DCA (finite-size) method systematically underestimates (overestimates) the width of the pseudogap. A spin pseudogap is not seen at half-filling.
Influence of two type of spin structures on the form of the Fermi surface (FS) and a photoemission intensity map is studied for t-t'-U Hubbard model. Mean field calculations are done for the stripe phase and for the spiral spin structure. It is shown, that unlike a case of electron doping, the hole-doped models are unstable with respect to formation of such structures. The pseudogap anisotropies are different for h- and e- doping. In accordance with ARPES data for La2SrxCuO4 the stripe phase is characterized by quasi-one-dimensional segments of FS at k=(π,0) and by suppression of spectral weig…
Pseudogap formation in the moderate correlated layered attractive Hubbard model
Russian Quantum Center（俄罗斯量子中心）；National University of Science and Technology “MISIS”（莫斯科国立科技大学 MISIS）；Department of Physics, National Research University Higher School of Economics（高等经济大学物理系）；Lomonosov Moscow State University（莫斯科国立罗蒙诺索夫大学）；London School of Economics and Political Science（伦敦政治经济学院）
One of the distinctive features of hole-doped cuprate superconductors is the onset of a `pseudogap' below a temperature $T^*$. Recent experiments suggest that there may be a connection between the existence of the pseudogap and the topology of the Fermi surface. Here, we address this issue by studying the two-dimensional Hubbard model with two distinct numerical methods. We find that the pseudogap only exists when the Fermi surface is hole-like and that, for a broad range of parameters, its opening is concomitant with a Fermi surface topology change from electron- to hole-like. We identify a c…
We have studied the pseudogap formation in the single-particle spectra of the half-filling two-dimensional Hubbard model. Using a Green's function with the one-loop self-energy correction of the spin and charge fluctuations, we have numerically calculated the self-energy, the spectral function, and the density of states in the weak-coupling regime at finite temperature. Pseudogap formations have been observed in both the density of states and the spectral function at the Fermi level. The pseudogap in the spectral function is explained by the non-Fermi-liquid-like nature of the self-energy. The…
The $S=1/2$ antiferromagnetic Heisenberg spin chain compound Sr$_2$CuO$_3$ doped with $1 \%$ and $2 \%$ of Ni impurities has been studied by means of $^{63}$Cu nuclear magnetic resonance. A strong decrease of the spin-lattice relaxation rate $T_1^{-1}$ at low temperatures points toward a spin gap, while a stretching exponent $λ< 1$ and a frequency dependence of $T_1^{-1}$ indicate that this spin gap varies spatially and should rather be characterized as a spin pseudogap. The magnitude of the spin pseudogap scales with doping level. Our results therefore evidence the finite-size character of th…
We examine the role of the anisotropy of superconducting thermal critical fluctuations in the opening of pseudogaps in quasi-two dimensions. When the anisotropy of coherence or correlation lengths of the fluctuations is large enough and critical temperatures T_c are high enough, the energy dependence of the selfenergy deviates from that of Landau's normal Fermi liquid in critical regions; its imaginary part has no minimum at the chemical potential. Prominent pseudogaps open in such a non-Fermi liquid phase. Pseudogaps must be absent or subtle in quasi-two dimensional superconductors with low T…
Motivated by the realization of spin-valley Hubbard on triangular moiré superlattice in ABC trilayer graphene aligned with hexagon boron nitride (hBN) and possibly also in twisted transition metal dichalcogenide homobilayers, we study possible Mott insulating phases and pseudogap metals based on symmetry constraint and parton mean field theories. First we show that Luttinger constraint allows two distinct symmetric and featureless Fermi liquids when there is an inter-valley Hund's term breaking $SU(4)$ spin rotation. Especially, there exists a symmetric and featureless "pseudogap metal" with s…
A precursor effect on the Fermi surface in the two-dimensional Hubbard model at finite temperatures near the antiferromagnetic instability is studied using three different itinerant approaches: the second order perturbation theory, the paramagnon theory (PT), and the two-particle self-consistent (TPSC) approach. In general, at finite temperature, the Fermi surface of the interacting electron systems is not sharply defined due to the broadening effects of the self-energy. In order to take account of those effects we consider the single-particle spectral function $A({\bf k},0)$ at the Fermi leve…
It is shown that in the two-dimensional attractive Hubbard model, the mean-field phase transition is replaced by a renormalized classical regime of fluctuations where a pseudogap opens up in the single-particle spectral weight. It is argued that this pseudogap and precursors of the ordered state quasiparticles can occur only in strongly anisotropic quasi two-dimensional materials. This precursor phenomenon differs from preformed local pairs. Furthermore, while critical antiferromagnetic fluctuations would also lead to a pseudogap in the repulsive model, there are some important differences bet…
The opening of a critical-fluctuation induced pseudogap (or precursor pseudogap) in the one-particle spectral weight of the half-filled two-dimensional Hubbard model is discussed. This pseudogap, appearing in our Monte Carlo simulations, may be obtained from many-body techniques that use Green functions and vertex corrections that are at the same level of approximation. Self-consistent theories of the Eliashberg type (such as the Fluctuation Exchange Approximation) use renormalized Green functions and bare vertices in a context where there is no Migdal theorem. They do not find the pseudogap, …
The onset of the pseudogap in high-$T_c$ superconducting cuprates (HTSC) is marked by the $T^*$ line in the doping-temperature phase diagram, which ends at a point $p^*$ at zero temperature within the superconducting dome. Although various theoretical and experimental studies indicate a competition between the pseudogap and superconductivity, there is no general consensus on the effects of the pseudogap within the superconducting phase. We use cluster dynamical mean field theory on a three-band Hubbard model for the HTSC to study the superconducting phase at $T=0$, obtained when doping the cha…
An exact study of charge-spin separation, pairing fluctuations and pseudogaps is carried out by combining the analytical eigenvalues of the four-site Hubbard clusters with the grand canonical and canonical ensemble approaches in a multidimensional parameter space of temperature (T), magnetic field (h), on-site interaction (U) and chemical potential. Our results, near the average number of electrons <N>=3, strongly suggest the existence of a critical parameter U_{c}(T) for the localization of electrons and a particle-hole binding (positive) gap at U>U_{c}(T), with a zero temperature quantum cri…
The CuO$_2$ antiferromagnetic insulator is transformed by hole-doping into an exotic quantum fluid usually referred to as the pseudogap (PG) phase. Its defining characteristic is a strong suppression of the electronic density-of-states D(E) for energies |E|<$Δ^*$, where $Δ^*$ is the pseudogap energy. Unanticipated broken-symmetry phases have been detected by a wide variety of techniques in the PG regime, most significantly a finite Q density-wave (DW) state and a Q=0 nematic (NE) state. Sublattice-phase-resolved imaging of electronic structure allows the doping and energy dependence of these d…
The condensation energy and the specific heat jump of a two-dimensional Hubbard model, suitable to discuss high-$T_c$ superconductors, is studied. In this work, the Hubbard model is investigated by the Green's function method within a $n$-pole approximation, which allows to consider superconductivity with $d_{x^2-y^2}$-wave pairing. In the present scenario, the pseudogap regime emerges when the antiferromagnetic (AF) correlations become sufficiently strong to move to lower energies the region around of the nodal point $(π,π)$ on the renormalized bands. It is observed that above a given total o…
A new diagrammatic technique is developed to describe nonlocal effects (e.g., pseudogap formation) in the Hubbard-like models. In contrast to cluster approaches, this method utilizes an exact transition to the dual set of variables, and it therefore becomes possible to treat the irreducible vertices of an effective {\it single-impurity} problem as small parameters. This provides a very efficient interpolation between weak-coupling (band) and atomic limits. The antiferromagnetic pseudogap formation in the Hubbard model is correctly reproduced by just the lowest-order diagrams.
The interplay between thermal and quantum fluctuations controls the competition between phases of matter in strongly correlated electron systems. We study finite-temperature properties of the strongly coupled two-dimensional doped Hubbard model using the minimally-entangled typical thermal states (METTS) method on width $4$ cylinders. We discover that a phase characterized by commensurate short-range antiferromagnetic correlations and no charge ordering occurs at temperatures above the half-filled stripe phase extending to zero temperature. The transition from the antiferromagnetic phase to th…
In this work the specific heat of a two-dimensional Hubbard model, suitable to discuss high-$T_c$ superconductors (HTSC), is studied taking into account hopping to first ($t$) and second ($t_2$) nearest neighbors. Experimental results for the specific heat of HTSC's, for instance, the YBCO and LSCO, indicate a close relation between the pseudogap and the specific heat. In the present work, we investigate the specific heat by the Green's function method within a $n$-pole approximation. The specific heat is calculated on the pseudogap and on the superconducting regions. In the present scenario, …
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…
The two-dimensional attractive Hubbard model is studied in the weak to intermediate coupling regime by employing a non-perturbative approach. It is first shown that this approach is in quantitative agreement with Monte Carlo calculations for both single-particle and two-particle quantities. Both the density of states and the single-particle spectral weight show a pseudogap at the Fermi energy below some characteristic temperature T*, also in good agreement with quantum Monte Carlo calculations. The pseudogap is caused by critical pairing fluctuations in the low-temperature renormalized classic…
We calculate the fermionic spectral function $A_k (ω)$ in the spiral spin-density-wave (SDW) state of the Hubbard model on a quasi-2D triangular lattice at small but finite temperature $T$. The spiral SDW order $Δ(T)$ develops below $T = T_N$ and has momentum ${ \bf K} = (4π/3,0)$. We pay special attention to fermions with momenta ${\bf k}$, for which ${\bf k}$ and ${\bf k} + {\bf K}$ are close to Fermi surface in the absence of SDW. At the mean field level, $A_k (ω)$ for such fermions has peaks at $ω= \pm Δ(T)$ at $T < T_N$ and displays a conventional Fermi liquid behavior at $T > T_N$. We sh…
The energetics of the interplay between superconductivity and the pseudogap in high temperature superconductivity is examined using the eight-site dynamical cluster approximation to the two dimensional Hubbard model. Two regimes of superconductivity are found: a weak coupling/large doping regime in which the onset of superconductivity causes a reduction in potential energy and an increase in kinetic energy, and a strong coupling regime in which superconductivity is associated with an increase in potential energy and decrease in kinetic energy. The crossover between the two regimes is found to …
We compute unbiased spectral functions of the two-dimensional Hubbard model by extrapolating Green functions, obtained from determinantal quantum Monte Carlo simulations, to the thermodynamic and continuous time limits. Our results clearly resolve the pseudogap at weak to intermediate coupling, originating from a momentum selective opening of the charge gap. A characteristic pseudogap temperature T*, determined consistently from the spectra and from the momentum dependence of the imaginary-time Green functions, is found to match the dynamical mean-field critical temperature, below which antife…
We examine the role of the anisotropy of superconducting critical thermal fluctuations in the opening of a pseudogap in a quasi-two dimensional superconductor such as a cuprate-oxide high-temperature superconductor. When the anisotropy between planes and their perpendicular axis is large enough and its superconducting critical temperature T_c is high enough, the fluctuations are much developed in its critical region so that lifetime widths of quasiparticles are large and the energy dependence of the selfenergy deviates from that of Landau's normal Fermi liquids. A pseudogap opens in such a cri…
We present a SU(2) gauge theory of fluctuating magnetic order in the two-dimensional Hubbard model. The theory is based on a fractionalization of electrons in fermionic chargons and bosonic spinons. The chargons undergo Néel or spiral magnetic order below a density dependent transition temperature $T^*$. Fluctuations of the spin orientation are described by a non-linear sigma model obtained from a gradient expansion of the spinon action. The spin stiffnesses are computed from a renormalization group improved random phase approximation. Our approximations are applicable for a weak or moderate H…
We provide a new perspective on the pseudogap physics for attractive fermions as described by the three-dimensional Hubbard model. The pseudogap in the single-particle spectral function, which occurs for temperatures above the critical temperature $T_c$ of the superfluid transition, is often interpreted in terms of preformed, uncondensed pairs. Here we show that the occurrence of pseudogap physics can be consistently understood in terms of local excitations which lead to a splitting of the quasiparticle peak for sufficiently large interaction. This effect becomes prominent at intermediate and …
The effect of doping in the two-dimensional Hubbard model is studied within finite temperature exact diagonalization combined with cluster dynamical mean field theory. By employing a mixed basis involving cluster sites and bath molecular orbitals for the projection of the lattice Green's function onto 2x2 clusters, a considerably more accurate description of the low frequency properties of the self-energy is achieved than in a pure site picture. The transition from Fermi-liquid to non-Fermi-liquid behavior for decreasing hole doping is studied as a function of Coulomb energy, next-nearest neig…
The pseudogap phenomena in High-$T_{\rm c}$ cuprates are investigated on the basis of the Hubbard model which includes only the on-site repulsive interaction $U$. We consider the pairing scenario for the pseudogap. The pseudogap arises from the resonance scattering due to the strong superconducting fluctuations. First, the electronic state and the anti-ferromagnetic spin fluctuations are calculated by using the FLEX approximation. The T-matrix (the propagator of the superconducting fluctuations) is calculated by extending the $\acute{\rm E}$liashberg equation. The self-energy due to the superc…
We study the frequency-dependent structure of electronic self-energy in the pseudogap and superconducting states of the two-dimensional Hubbard model. We present the self-energy calculated with the cellular dynamical mean-field theory systematically in the space of temperature, electron density, and interaction strength. We show that the low-frequency part of the self-energy is well represented by a simple equation, which describes the transitions of an electron to and from a hidden fermionic state. By fitting the numerical data with this simple equation, we determine the parameters characteri…
Probing the pseudogap and beyond: Examining single-particle properties of the hole- and electron-doped Hubbard model
Stanford University（斯坦福大学）；SLAC National Accelerator Laboratory（SLAC国家加速器实验室）；University of California, Santa Barbara（加州大学圣塔芭芭拉分校）；University of Notre Dame（圣母大学）
We compute the dynamical charge susceptibility in the two-dimensional Hubbard model within the dynamical cluster approximation. In order to understand the connection between charge susceptibility and pseudogap, we investigate the momentum, doping, and temperature dependence. We find that as a function of frequency, the dynamical charge susceptibility is well represented by a single peak at a characteristic frequency. It shows little momentum or temperature dependence, while the doping dependence is more evident, and no clear signature of the pseudogap is observed. Data for the doping evolution…
We study the evolution of a Mott-Hubbard insulator into a correlated metal upon doping in the two-dimensional Hubbard model using the Cellular Dynamical Mean Field Theory. Short-range spin correlations create two additional bands apart from the familiar Hubbard bands in the spectral function. Even a tiny doping into this insulator causes a jump of the Fermi energy to one of these additional bands and an immediate momentum dependent suppression of the spectral weight at this Fermi energy. The pseudogap is closely tied to the existence of these bands. This suggests a strong-coupling mechanism th…
Pseudogap, Fermi liquid, Van Hove singularity and maxima of the compressibility and of the Knight shift as a function of doping in the two-dimensional Hubbard model
We show that antiferromagnetic spin-density wave order in the two-dimensional Hubbard model yields a drop of the charge carrier density as observed in recent transport measurements for cuprate superconductors in high magnetic fields upon entering the pseudogap regime. The amplitude and the (generally incommensurate) wave vector of the spin-density wave is obtained from dynamical mean-field theory (DMFT). An extrapolation of the finite temperature results to zero temperature yields an approximately linear doping dependence of the magnetic gap $Δ(p) \propto p^*-p$ in a broad doping range below t…
In correlated electron systems the metallic character of a material can be strongly suppressed near an integer concentration of conduction electrons as Coulomb interactions forbid the double occupancy of local atomic orbitals. While the Mott-Hubbard physics arising from such on-site interactions has been largely studied, several unexplained phenomena observed in correlated materials challenge this description and call for the development of new ideas. Here we explore a general route for obtaining correlated behavior that is decidedly different from the spin-related Mott-Hubbard mechanism and i…
In the half-filled one-orbital Hubbard model on a square lattice, we find pseduogap features in the form of two-peak structures associated with the momentum-resolved spectral function, which exists within the temperature window $T_N \lesssim T \lesssim T^*$. $T^*$ is the temperature below which there exists a well-formed dip in the density of state. Inside the window $T_N \lesssim T \lesssim T^*$, the peak-to-peak separation in the two-peak structure of the momentum-resolved spectral function rises on moving away from the point ($π/2, π/2$) along the normal state Fermi surface towards $(π, 0)$…
