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The interplay of dynamical correlations and electronic ordering is pivotal in shaping phase diagrams of correlated quantum materials. In magic-angle twisted bilayer graphene, transport, thermodynamic, and spectroscopic experiments pinpoint a competition between distinct low-energy states with and without electronic order, as well as between localized and delocalized charge carriers. In this study, we utilize dynamical mean-field theory on the topological heavy fermion model of twisted bilayer graphene to investigate the emergence of electronic correlations and long-range order in the absence of strain. We contrast moment formation, Kondo screening, and ordering on a temperature basis and explain the nature of emergent correlated states based on three central phenomena: (i) the formation of local spin and valley isospin moments around 100 K, (ii) the ordering of the local isospin moments around 10 K preempting Kondo screening, and (iii) a cascadic redistribution of charge between localized and delocalized electronic states upon doping. At integer fillings, we find that low-energy spectral weight is depleted in the symmetric phase, while we find insulating states with gaps enhanced by exchange coupling in the zero-strain ordered phases. Doping away from integer filling results in distinct metallic states: a “bad metal” above the ordering temperature, where scattering off the disordered local moments suppresses electronic coherence, and a “good metal” in the ordered states with coherence of quasiparticles facilitated by isospin order. This finding reveals coherence from order as the microscopic mechanism behind the Pomeranchuk effect observed experimentally by Rozen et al. [Nature (London) 592, 214 (2021)NATUAS0028-083610.1038/s41586-021-03319-3] and by Saito et al. [Nature (London) 592, 220 (2021)NATUAS0028-083610.1038/s41586-021-03409-2]. Upon doping, there is a periodic charge reshuffling between localized and delocalized electronic orbitals leading to cascades of doping-induced Lifshitz transitions, local spectral weight redistributions, and periodic variations of the electronic compressibility ranging from nearly incompressible to negative. Our findings highlight the essential role of charge transfer, hybridization, and ordering in shaping the electronic excitations and thermodynamic properties in twisted bilayer graphene and provide a unified understanding of the most puzzling aspects of scanning tunneling spectroscopy, transport, and compressibility experiments.

Competing and intertwined orders including inhomogeneous patterns of spin and charge are observed in many correlated electron materials, such as high-temperature superconductors. Introducing a new development of the constrained-path auxiliary-field quantum Monte Carlo method, we study the interplay between thermal and quantum fluctuations in the two-dimensional Hubbard model. We obtain an accurate and systematic characterization of the evolution of the spin and charge correlations as a function of temperature T and how it connects to the ground state, at three representative hole doping levels δ=1/5, 1/8, and 1/10. We find increasing short-range commensurate antiferromagnetic correlations as T is lowered. As the correlation length grows sufficiently large, a modulated spin-density wave (SDW) appears. At δ=1/5 and U/t=6, the SDW saturates and remains short-ranged as T→0. In contrast, at δ=1/8, 1/10 and U/t=8, this evolves into a ground-state stripe phase. We study the relation between spin and charge orders and find that formation of charge order appears to be driven by that of the spin order. We identify a finite-temperature phase transition below which charge ordering sets in and discuss the implications of our results for the nature of this transition.

The moiré Hubbard model describes correlations in certain homobilayer twisted transition metal dichalcogenides. Using exact diagonalization and density matrix renormalization group methods, we find magnetic Mott insulating and metallic phases which, upon doping, exhibit intertwined charge and spin ordering and, in some regimes, pair binding of holes. The phases are highly tunable via an interlayer potential difference. Remarkably, the hole-binding energy is found to be highly tunable, revealing an experimentally accessible regime where holes become attractive. In this attractive regime, we study the superconducting correlation function and point out the possibility of weak superconductivity.

We present a comprehensive dynamical mean field study of the triangular lattice moiré Hubbard model, which is believed to represent the physics of moiré bilayer transition metal dichalcogenides. In these materials, important aspects of the band structure including the bandwidth and the order and location of van Hove singularities can be tuned by varying the interlayer potential. We present a magnetic and metal-insulator phase diagram and a detailed study of the dependence of the resistivity on temperature, band filling, and interlayer potential. We find that transport displays Fermi liquid, strange metal, and quantum critical behaviors in distinct regions of the phase diagram. Specifically, we find that the cube-root van Hove singularity [ρ(ε)∼|ε|^{-1/3}] gives a strange metal behavior with a T-linear scattering rate and ω/T scaling. We show how magnetic order affects the resistivity. Our results elucidate the physics of the correlated states and the metal-insulator continuous transition recently observed in twisted homobilayer WSe_{2} and heterobilayer MoTe_{2}/WSe_{2} experiments.

We consider non-Fermi liquids in which the inelastic scattering rate has an intrinsic particle-hole asymmetry and obeys ω/T scaling. We show that, in contrast to Fermi liquids, this asymmetry influences the low-temperature behavior of the thermopower even when the impurity scattering dominates. Implications for the unconventional sign and temperature dependence of the thermopower in cuprates in the strange metal (Planckian) regime are emphasized.

The physics of the triangular lattice Hubbard model exhibits a rich phenomenology, ranging from a metal-insulator transition, intriguing thermodynamic behavior, and a putative spin liquid phase at intermediate coupling, ultimately becoming a magnetic insulator at strong coupling. In this multimethod study, we combine a finite-temperature tensor network method, minimally entangled thermal typical states (METTS), with two Green-function-based methods, connected-determinant diagrammatic Monte Carlo and cellular dynamical mean-field theory, to establish several aspects of this model. We elucidate the evolution from the metallic to the insulating regime from the complementary perspectives brought by these different methods. We compute the full thermodynamics of the model on a width-four cylinder using METTS in the intermediate to strong coupling regime. We find that the insulating state hosts a large entropy at intermediate temperatures, which increases with the strength of the coupling. Correspondingly, and consistently with a thermodynamic Maxwell relation, the double occupancy has a minimum as a function of temperature which is the manifestation of the Pomeranchuk effect of increased localization upon heating. The intermediate coupling regime is found to exhibit both pronounced chiral as well as stripy antiferromagnetic spin correlations. We propose a scenario in which time-reversal symmetry-broken states compete with stripy-spin states at lowest temperatures.

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 method on width-four 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 the stripe phase takes place at temperature T/t≈0.05 and is accompanied by a steplike feature of the specific heat. We find the single-particle gap to be smallest close to the nodal point at k=(π/2,π/2) and detect a maximum in the magnetic susceptibility. These features bear a strong resemblance to the pseudogap phase of high-temperature cuprate superconductors. The simulations are verified using a variety of different unbiased numerical methods in the three limiting cases of zero temperature, small lattice sizes, and half filling. Moreover, we compare to and confirm previous determinantal quantum Monte Carlo results on incommensurate spin-density waves at finite doping and temperature.

We numerically solve the Hubbard model on the Bethe lattice with finite coordination number z=3, and determine its zero-temperature phase diagram. For this purpose, we introduce and develop the “variational uniform tree state” (VUTS) algorithm, a tensor-network algorithm which generalizes the variational uniform matrix product state algorithm to tree tensor networks. Our results reveal an antiferromagnetic insulating phase and a paramagnetic metallic phase, separated by a first-order doping-driven metal-insulator transition. We show that the metallic state is a Fermi liquid with coherent quasiparticle excitations for all values of the interaction strength U, and we obtain the finite quasiparticle weight Z from the single-particle occupation function of a generalized “momentum” variable. We find that Z decreases with increasing U, ultimately saturating to a nonzero, doping-dependent value. Our work demonstrates that tensor-network calculations on tree lattices, and the VUTS algorithm in particular, are a platform for obtaining controlled results for phenomena absent in one dimension, such as Fermi liquids, while avoiding computational difficulties associated with tensor networks in two dimensions. We envision that future studies could observe non-Fermi liquids, interaction-driven metal-insulator transitions, and doped spin liquids using this platform.

The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations. Using the two-dimensional half-filled Hubbard model at weak coupling as a testing ground, we perform a comparative study of a comprehensive set of state-of-the-art quantum many-body methods. Upon cooling into its insulating antiferromagnetic ground state, the model hosts a rich sequence of distinct physical regimes with crossovers between a high-temperature incoherent regime, an intermediate-temperature metallic regime, and a low-temperature insulating regime with a pseudogap created by antiferromagnetic fluctuations. We assess the ability of each method to properly address these physical regimes and crossovers through the computation of several observables probing both quasiparticle properties and magnetic correlations, with two numerically exact methods (diagrammatic and determinantal quantum Monte Carlo methods) serving as a benchmark. By combining computational results and analytical insights, we elucidate the nature and role of spin fluctuations in each of these regimes. Based on this analysis, we explain how quasiparticles can coexist with increasingly long-range antiferromagnetic correlations and why dynamical mean-field theory is found to provide a remarkably accurate approximation of local quantities in the metallic regime. We also critically discuss whether imaginary-time methods are able to capture the non-Fermi-liquid singularities of this fully nested system.

The Mott insulating phase of parent compounds is frequently taken as a starting point for underdoped high-T_{c} cuprate superconductors. In particular, the pseudogap state is often considered as deriving from the Mott insulator. In this work, we systematically investigate different weakly doped Mott insulators on a square and triangular lattice to clarify the relationship between the pseudogap and Mottness. We show that doping a two-dimensional Mott insulator does not necessarily lead to a pseudogap phase. Despite its inherent strong-coupling nature, we find that the existence or absence of a pseudogap depends sensitively on noninteracting band parameters, and we identify the crucial role played by the van Hove singularities of the system. Motivated by a SU(2) gauge theory for the pseudogap state, we propose and verify numerically a simple equation that governs the evolution of characteristic features in the electronic scattering rate.

We describe the phase diagram of electrons on a fully connected lattice with random hopping, subject to a random Heisenberg spin exchange interaction between any pair of sites and a constraint of no double occupancy. A perturbative renormalization group analysis yields a critical point with fractionalized excitations at a nonzero critical value p_{c} of the hole doping p away from the half-filled insulator. We compute the renormalization group to two loops, but some exponents are obtained to all loop order. We argue that the critical point p_{c} is flanked by confining phases: a disordered Fermi liquid with carrier density 1+p for p>p_{c} and a metallic spin glass with carrier density p for p

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 holelike and that, for a broad range of parameters, its opening is concomitant with a Fermi-surface topology change from electronlike to holelike. We identify a common link between these observations: The polelike feature of the electronic self-energy associated with the formation of the pseudogap is found to also control the degree of particle-hole asymmetry, and hence the Fermi-surface topology transition. We interpret our results in the framework of an SU(2) gauge theory of fluctuating antiferromagnetism. We show that a mean-field treatment of this theory in a metallic state with U(1) topological order provides an explanation of this polelike feature and a good description of our numerical results. We discuss the relevance of our results to experiments on cuprates.