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The study of strongly correlated fermionic systems, crucial for understanding condensed matter physics, has been significantly advanced by numerical computational methods. Among these, the Determinant Quantum Monte Carlo (DQMC) method stands out for its ability to provide exact numerical solutions. However, the computational complexity of DQMC, particularly in dealing with large system sizes and the notorious sign problem, limits its applicability. We introduce an innovative approach to enhance DQMC efficiency through the implementation of submatrix updates. Building upon the foundational work of conventional fast updates and delay updates, our method leverages a generalized submatrix update algorithm to address challenges in simulating strongly correlated fermionic systems with both onsite and extended interactions at both finite and zero temperatures. We demonstrate the method's superiority by comparing it with previous update methods in terms of computational complexity and efficiency. Specifically, our submatrix update method significantly reduces the computational overhead, enabling the simulation of system sizes up to 8,000 sites without pushing hard. This advancement allows for a more accurate determination of the finite temperature phase diagram of the 3D Hubbard model at half-filling. Our findings not only shed light on the phase transitions within these complex systems but also pave the way for more effective simulations of strongly correlated electrons, potentially guiding experimental efforts in cold atom simulations of the 3D Hubbard model., Comment: 18 pages, 12 figures, 3 tables, note added

Residual entropy, indicative of the degrees of freedom in a system at absolute zero, is a cornerstone for understanding quantum and classical ground states. Despite its critical role in elucidating low-temperature phenomena and ground state degeneracy, accurately quantifying residual entropy remains a formidable challenge due to significant computational hurdles. In this Letter, we introduce the Temperature Incremental Monte Carlo (TIMC) method, our novel solution crafted to surmount these challenges. The TIMC method incrementally calculates the partition function ratio of neighboring temperatures within Monte Carlo simulations, enabling precise entropy calculations and providing insights into a spectrum of other temperature-dependent observables in a single computational sweep of temperatures. We have rigorously applied TIMC to a variety of complex systems, such as the frustrated antiferromagnetic Ising model on both C60 and 2D triangular lattices, the Newman-Moore spin glass model, and a 2D quantum transverse field Ising model. Notably, our method surmounts the traditional obstacles encountered in partition function measurements when mapping $d$-dimensional quantum models to $d+1$-dimensional classical counterparts. The TIMC method's finesse in detailing entropy across the entire temperature range enriches our comprehension of critical phenomena in condensed matter physics. This includes insights into spin glasses, phases exhibiting spontaneous symmetry breaking, topological states of matter and fracton phases. Our approach not only advances the methodology for probing the entropic landscape of such systems but also paves the way for exploring their broader thermodynamic and quantum mechanical properties., Comment: 5 pages, 5 figures

Many-body entanglement unveils additional aspects of quantum matter and offers insights into strongly correlated physics. While ground-state entanglement has received much attention in the past decade, the study of mixed-state quantum entanglement using negativity in interacting fermionic systems remains largely unexplored. We demonstrate that the partially transposed density matrix of interacting fermions, similar to their reduced density matrix, can be expressed as a weighted sum of Gaussian states describing free fermions, enabling the calculation of rank-$n$ R\'{e}nyi negativity within the determinant quantum Monte Carlo framework. We conduct the first calculation of the rank-two R\'{e}nyi negativity for the half-filled Hubbard model and the spinless $t$-$V$ model. Our calculation reveals that the area law coefficient of the R\'{e}nyi negativity for the spinless $t$-$V$ model has a logarithmic finite-size scaling at the finite-temperature transition point. Our work contributes to the calculation of entanglement and sets the stage for future studies on quantum entanglement in various fermionic many-body mixed states., Comment: 8+10 pages, 3+2 figures

We investigate the role of superconducting phase fluctuations in generic 2D superconductors. For nodal d-wave superconductors, it is found that the thermal (static) phase fluctuations in the normal state significantly broaden the d-wave nodes, and lead to the pseudogap and accompanying Fermi arcs in a quite general manner. The formation of Fermi arcs can be depicted by the intertwinement between d-wave superconductivity and the scattering of Cooper pairs. To support our theoretical findings, we numerically report the observation of Fermi arcs in a concrete lattice model, proposed originally by X. Y. Xu and T. Grover in Phys. Rev. Lett. 126, 217002 (2021), using the determinant quantum Monte Carlo (DQMC) method without the infamous sign problem. As far as we noticed, it is the first time in a highly-correlated model that the Fermi arcs are identified with unbiased DQMC simulations. Despite the conciseness of our theory, our simulation results confirm the theoretical predictions qualitatively., Comment: 6 pages, 5 figures for the main text; 8 pages, 5 figures for the supplementary material

Determinant quantum Monte Carlo (DQMC) is a widely used unbiased numerical method for simulating strongly correlated electron systems. However, the update process in DQMC is often a bottleneck for its efficiency. To address this issue, we propose a generalized delay update scheme that can handle both onsite and extended interactions. Our delay update scheme can be implemented in both zero-temperature and finite-temperature versions of DQMC. We apply the delay update scheme to various strongly correlated electron models and evaluate its efficiency under different conditions. Our results demonstrate that the proposed delay update scheme significantly improves the efficiency of DQMC simulations, enable it to simulate larger system size., Comment: 12 pages, 7 figures

We investigate a 2+1-D interacting Dirac semimetal with onsite flavor SU(2) symmetry. Topological considerations imply that the skyrmions in the flavor-symmetry-breaking phase carry electron quantum numbers, motivating a dual bosonized low energy description in terms of two complex scalars coupled to an abelian Chern-Simons field. We propose that the transition between a nearby Chern insulator and the flavor symmetry-broken phase is a bicritical point in the bosonized description, and also suggest that the Gross-Neveu-Heisenberg (GNH) transition between the Dirac semimetal and the flavor symmetry-broken phase is a tricritical point. Heuristically, the dual description corresponds to the gap closing of fermionic skyrmions. We discuss implications and potential issues with our proposal, and motivated from it, perform extensive unbiased Determinantal Quantum Monte Carlo (DQMC) simulations on a lattice regularized Hamiltonian for the GNH transition, extending previously available results. We compare DQMC results with the estimates in the proposed dual from available perturbative renormalization group results. We also numerically demonstrate the presence of fermionic skyrmions in the symmetry-broken phase of our lattice model., Comment: 10+8 pages, 4+9 figures, 1+1 tables

Lately there are many SLAC fermion investigations on the (2+1)D Gross-Neveu criticality of a single Dirac cone [1,2]. While the SLAC fermion construction indeed gives rise to the linear energy-momentum relation for all lattice momenta at the non-interacting limit, the long-range hopping and its consequent violation of locality on the Gross-Neveu quantum critical point (GN-QCP) -- which a priori requires short-range interaction -- has not been verified. Here we show, by means of large-scale quantum Monte Carlo simulations, that the interaction-driven antiferromagnetic insulator in this case is fundamentally different from that on a purely local $\pi$-flux Hubbard model on the square lattice. In particular, we find the antiferromagnetic long-range order in the SLAC fermion model has a finite temperature continuous phase transition, which violates the Mermin-Wagner theorem, and smoothly connects to the previously determined GN-QCP. The magnetic excitations inside the antiferromagnetic insulator are gapped without Goldstone mode, even though the state spontaneously breaks continuous $SU(2)$ symmetry. These unusual results proclaim caution on the interpretation of the quantum phase transition in SLAC fermion model as that of GN-QCP with short-range interaction.

Inspired by our recent works[1, 2] of SU(2) and SU(4) Dirac fermions subjected to plaquette interactions on square lattice, here we extend the large-scale quantum Monte Carlo investigations to the phase digram of correlated Dirac fermions with SU(6) and SU(8) symmetries subjected to the plaquette interaction on the same lattice. From SU(2) to SU(8), the rich phase diagram exhibits a plethora of emerging quantum phases such as the Dirac semimetal, the antiferromagnetic Mott insulator, valence bond solid (VBS) and the Dirac spin liquid and phase transitions including the Gross-Neveu chiral transitions with emergent continuous symmetry, the deconfined quantum criticality and the first order transition between interaction-driven columnar VBS and plaquette VBS. These rich phenomena coming from the simple-looking lattice models, firmly convey the message that the interplay between the $SU(N)$ Dirac fermions -- with enhanced internal symmetries -- and extended plaquette interactions -- beyond the on-site Hubbard type -- is the new playground to synthesise novel highly entangled quantum matter both at the model level and with experimental feasibilities., Comment: 9 pages, 7 figures

At sufficiently low temperatures, interacting electron systems tend to develop orders. Exceptions are quantum critical point (QCP) and quantum spin liquid (QSL), where fluctuations prevent the highly entangled quantum matter to an ordered state down to the lowest temperature. While the ramification of these states may have appeared in high-temperature superconductors, ultra-cold atoms, frustrated magnets and quantum Moir\'e materials, their unbiased presence remain elusive in microscopic two-dimensional lattice models. Here, we show by means of large-scale quantum Monte Carlo simulations of correlated electrons on the $\pi$-flux square lattice subjected to extended Hubbard interaction, that a Gross-Neveu QCP separating massless Dirac fermions and an columnar valence bond solid at finite interaction, and a possible Dirac QSL at the infinite yet tractable interaction limit emerge in a coherent sequence. These unexpected novel quantum states resides in this simple-looking model, unifying ingredients including emergent symmetry, deconfined fractionalization and the dynamic coupling between emergent matter and gauge fields, will have profound implications both in quantum many-body theory and understanding of the aforementioned experimental systems., Comment: 12 pages, 7 figures

We investigate the ground state phase diagram of an extended Hubbard model with $\pi$-flux hopping term at half-filling on a square lattice, with unbiased large-scale auxiliary-field quantum Monte Carlo simulations. As a function of interaction strength, there emerges an intermediate phase which realizes two interaction-driven quantum critical points, with the first between the Dirac semimetal and an insulating phase of weak valence bond solid (VBS) order, and the second separating the VBS order and an antiferromagnetic insulating phase. These intriguing quantum critical points are respectively bestowed with Gross-Neveu and deconfined quantum criticalities, and the critical exponents $\eta_\text{VBS}=0.6(1)$ and $\eta_\text{AF}=0.58(3)$ at deconfined quantum critical point satisfy the CFT Bootstrap bound. We also investigate the dynamical properties of the spin excitation and find the spin gap open near the first transition and close at the second. The relevance of our findings in realizing deconfined quantum criticality in fermion systems and the implication to lattice models with further extended interactions such as those in quantum Moir\'e systems, are discussed., Comment: 6+2 pages, 5+2 figures

Sign problem in fermion quantum Monte Carlo (QMC) simulation appears to be an extremely hard problem. Traditional lore passing around for years tells people that when there is a sign problem, the average sign in QMC simulation approaches zero exponentially fast with the space-time volume of the configurational space. We, however, analytically show this is not always the case and manage to find physical bounds for the average sign. Our understanding is based on a direct connection between the sign bounds and a well-defined partition function of reference system and could distinguish when the bounds have the usual exponential scaling, and when they are bestowed on an algebraic scaling at low temperature limit. We analytically explain such algebraic sign problems found in flat band moir\'e lattice models at low temperature limit. At finite temperature, a domain size argument based on sign bounds also explains the connection between sign behavior and finite temperature phase transition. Sign bounds, as a well-defined observable, may have ability to ease or even make use of the sign problem., Comment: 11 pages, 3 figures

We propose a projection approach to perform quantum Monte Carlo (QMC) simulation on the infinite-$U$ Hubbard model at some integer fillings where either it is sign problem free or surprisingly has an algebraic sign structure -- a power law dependence of average sign on system size. We demonstrate our scheme on the infinite-$U$ $SU(2N)$ fermionic Hubbard model on both a square and honeycomb lattice at half-filling, where it is sign problem free, and suggest possible correlated ground states. The method can be generalized to study certain extended Hubbard models applying to cluster Mott insulators or two-dimensional Moir\'e systems; among one of them at certain non-half-integer filling, the sign has an algebraic behavior such that it can be numerically solved within a polynomial time. Further, our projection scheme can also be generalized to implement the Gutzwiller projection to spin basis such that $SU(2N)$ quantum spin models and Kondo lattice models may be studied in the framework of fermionic QMC simulations., Comment: 6+2 pages, 4+2 figures, appear on PRB as a Letter soon

Recently, multifold fermions characterized by band crossings with multifold degeneracy and Fermi surfaces with nontrivial Chern numbers have been discovered experimentally in AlPt[arXiv:1812.03310] and XSi(X=Rh,Co)[arXiv:1812.04466][arXiv:1901.03358][arXiv:1809.01312]. In this work, we largely expand the family of multifold fermion materials by pointing out that several well-studied noncentrosymmetric superconductors are indeed multifold fermion metals. Importantly, their normal state topological properties, which have been ignored in previous studies, play an important role in the superconducting properties. Taking Li$_2$Pd$_3$B and Li$_2$Pt$_3$B as examples, we found a large number of unconventional degenerate points, such as double spin-1, spin-3/2, Weyl and double Weyl topological band crossing points near the Fermi energy, which result in finite Chern numbers on Fermi surfaces. Long Fermi arc states in Li$_2$Pd$_3$B, originating from the nontrivial band topology were found. Importantly, it has been shown experimentally that Li$_2$Pd$_3$B and Li$_2$Pt$_3$B are fully gapped and gapless superconductors, respectively. By analyzing the possible pairing symmetries, we suggest that Li$_2$Pd$_3$B can be a DIII class topological superconductor with Majorana surface states, even though the spin-orbit coupling in Li$_2$Pd$_3$B is negligible. Interestingly, Li$_2$Pt$_3$B, being gapless, is likely to be a nodal topological superconductor with dispersionless surface Majorana modes. We further identified that several noncentrosymmetric superconductors, such as Mo$_3$Al$_2$C, PdBiSe, Y$_2$C$_3$ and La$_2$C$_3$, are multifold fermion superconductors whose normal state topological properties have been ignored in previous experimental and theoretical studies.

We review analytical and numerical studies of correlated insulating states in twisted bilayer graphene, focusing on real-space lattice models constructions and their unbiased quantum many-body solutions. We show that by constructing localized Wannier states for the narrow bands, the projected Coulomb interactions can be approximated by interactions of cluster charges with assisted nearest neighbor hopping terms. With the interaction part only, the Hamiltonian is $SU(4)$ symmetric considering both spin and valley degrees of freedom. In the strong coupling limit where the kinetic terms are neglected, the ground states are found to be in the $SU(4)$ manifold with degeneracy. The kinetic terms, treated as perturbation, break this large $SU(4)$ symmetry and propel the appearance of intervalley coherent state, quantum topological insulators and other symmetry-breaking insulating states. We first present the theoretical analysis of moir\'e lattice model construction and then show how to solve the model with large-scale quantum Monte Carlo simulations in an unbiased manner. We further provide potential directions such that from the real-space model construction and its quantum many-body solutions how the perplexing yet exciting experimental discoveries in the correlation physics of twisted bilayer graphene can be gradually understood. This review will be helpful for the readers to grasp the fast growing field of the model study of twisted bilayer graphene., Comment: 15 pages, 12 figures, invited review article

Competing unconventional superconductivity and antiferromagnetism widely exist in several strongly correlated quantum materials whose direct simulation generally suffers from fermion sign problem. Here we report unbiased Quantum Monte Carlo (QMC) simulations on a sign-problem-free repulsive toy model with same onsite symmetries as the standard Hubbard model on a 2D square lattice. Using QMC, supplemented with mean-field and continuum field-theory arguments, we find that it hosts three distinct phases: a nodal d-wave phase, an antiferromagnet, and an intervening phase which hosts coexisting antiferromagnetism and nodeless d-wave superconductivity. The transition from the coexisting phase to the antiferromagnet is described by the 2+1-D XY universality class, while the one from the coexisting phase to the nodal d-wave phase is described by the Heisenberg-Gross-Neveu theory. The topology of our phase diagram resembles that of layered organic materials which host pressure tuned Mott transition from antiferromagnet to unconventional superconductor at half-filling., Comment: 6+9 pages, 4+9 figures

Recently, it was pointed out that all chiral crystals with spin-orbit coupling (SOC) can be Kramers Weyl semimetals (KWSs) which possess Weyl points pinned at time-reversal invariant momenta. In this work, we show that all achiral non-centrosymmetric materials with SOC can be a new class of topological materials, which we term Kramers nodal line metals (KNLMs). In KNLMs, there are doubly degenerate lines, which we call Kramers nodal lines (KNLs), connecting time-reversal invariant momenta. The KNLs create two types of Fermi surfaces, namely, the spindle torus type and the octdong type. Interestingly, all the electrons on octdong Fermi surfaces are described by two-dimensional massless Dirac Hamiltonians. These materials support quantized optical conductance in thin films. We further show that KNLMs can be regarded as parent states of KWSs. Therefore, we conclude that all non-centrosymmetric metals with SOC are topological, as they can be either KWSs or KNLMs., Comment: 12 pages, 4 figures, plus Supplementary Information. Comments are welcome

Twisted bilayer graphene (TBG) provides a unique framework to elucidate the interplay between strong correlations and topological phenomena in two-dimensional systems. The existence of multiple electronic degrees of freedom -- charge, spin, and valley -- gives rise to a plethora of possible ordered states and instabilities. Identifying which of them are realized in the regime of strong correlations is fundamental to shed light on the nature of the superconducting and correlated insulating states observed in the TBG experiments. Here, we use unbiased, sign-problem-free quantum Monte Carlo simulations to solve an effective interacting lattice model for TBG at charge neutrality. Besides the usual cluster Hubbard-like repulsion, this model also contains an assisted hopping interaction that emerges due to the non-trivial topological properties of TBG. Such a non-local interaction fundamentally alters the phase diagram at charge neutrality, gapping the Dirac cones even for infinitesimally small interaction. As the interaction strength increases, a sequence of different correlated insulating phases emerge, including a quantum valley Hall state with topological edge states, an intervalley-coherent insulator, and a valence bond solid. The charge-neutrality correlated insulating phases discovered here provide the sought-after reference states needed for a comprehensive understanding of the insulating states at integer fillings and the proximate superconducting states of TBG., Comment: 15 pages, 9 figures, 2 tables

Quantum Monte Carlo (QMC) simulations of correlated electron systems provide unbiased information about system behavior at a quantum critical point (QCP) and can verify or disprove the existing theories of non-Fermi liquid (NFL) behavior at a QCP. However, simulations are carried out at a finite temperature, where quantum-critical features are masked by finite temperature effects. Here we present a theoretical framework within which it is possible to separate thermal and quantum effects and extract the information about NFL physics at $T=0$. We demonstrate our method for a specific example of 2D fermions near a Ising-ferromagnetic QCP. We show that one can extract from QMC data the zero-temperature form of fermionic self-energy $\Sigma (\omega)$ even though the leading contribution to the self-energy comes from thermal effects. We find that the frequency dependence of $\Sigma (\omega)$ agrees well with the analytic form obtained within the Eliashberg theory of dynamical quantum criticality, and obeys $\omega^{2/3}$ scaling at low frequencies. Our results open up an avenue for QMC studies of quantum-critical metals., Comment: 10 pages, 8 figures

The coupling between fermionic matter and gauge fields plays a fundamental role in our understanding of nature, while at the same time posing a challenging problem for theoretical modeling. In this situation, controlled information can be gained by combining different complementary approaches. Here, we study a confinement transition in a system of $N_f$ flavors of interacting Dirac fermions charged under a U(1) gauge field in 2+1 dimensions. Using Quantum Monte Carlo simulations, we investigate a lattice model that exhibits a continuous transition at zero temperature between a gapless deconfined phase, described by three-dimensional quantum electrodynamics, and a gapped confined phase, in which the system develops valence-bond-solid order. We argue that the quantum critical point is in the universality class of the QED$_3$-Gross-Neveu-XY model. We study this field theory within a $1/N_f$ expansion in fixed dimension as well as a renormalization group analysis in $4-\epsilon$ space-time dimensions. The consistency between numerical and analytical results is revealed from large to intermediate flavor number., Comment: 10 pages, 9 figures; v2: additional data and explanations, corrected erroneous interpretation of dimer scaling dimension

Thanks to the development in quantum Monte Carlo technique, the compact U(1) lattice gauge theory coupled to fermionic matter at (2+1)D is now accessible with large-scale numerical simulations, and the ground state phase diagram as a function of fermion flavor ($N_f$) and the strength of gauge fluctuations is mapped out~\cite{Xiao2018Monte}. Here we focus on the large fermion flavor case ($N_f=8$) to investigate the dynamic properties across the deconfinement-to-confinement phase transition. In the deconfined phase, fermions coupled to the fluctuating gauge field to form U(1) spin liquid with continua in both spin and dimer spectral functions, and in the confined phase fermions are gapped out into valence bond solid phase with translational symmetry breaking and gapped spectra. The dynamical behaviors provide supporting evidence for the existence of the U(1) deconfined phase and could shine light on the nature of the U(1)-to-VBS phase transition which is of the QED$_3$-Gross-Neveu chiral O(2) universality whose properties still largely unknown., Comment: 11 pages, 6 figures

Kramers Weyl semimetals are Weyl semimetals that have Weyl points pinned at the time reversal invariant momenta. Recently it has been discovered that all chiral crystals host Weyl points at time reversal invariant momenta, so metals with chiral lattice symmetry all belong to the category of Kramers Weyl semimetals. In this work, we show that due to the chiral lattice symmetry, Kramers Weyl semimetals have the unique longitudinal magnetoelectric effect in which the charge current induced spin and orbital magnetization is parallel to the direction of the current. This feature allows Kramers Weyl semimetals to act as nanoscale quantum solenoids with both orbital and spin magnetization. As the moving electrons of Kramers Weyl semimetal can generate longitudinal magnetization, Kramers Weyl semimetals can be used for new designs of spin-orbit torque devices with all electric control of magnetization switching for magnets with perpendicular magnetic anisotropy., Comment: 8 pages, 5 figures, supplementary materials included. Comments are welcome

Orthogonal metal is a new quantum metallic state that conducts electricity but acquires no Fermi surface (FS) or quasiparticles, and hence orthogonal to the established paradigm of Landau's Fermi-liquid (FL). Such a state may hold the key of understanding the perplexing experimental observations of quantum metals that are beyond FL, i.e., dubbed non-Fermi-liquid (nFL), ranging from the Cu- and Fe-based oxides, heavy fermion compounds to the recently discovered twisted graphene heterostructures. However, to fully understand such an exotic state of matter, at least theoretically, one would like to construct a lattice model and to solve it with unbiased quantum many-body machinery. Here we achieve this goal by designing a 2D lattice model comprised of fermionic and bosonic matter fields coupled with dynamic $\mathbb Z_2$ gauge fields, and obtain its exact properties with sign-free quantum Monte Carlo simulations. We find that as the bosonic matter fields become disordered, with the help of deconfinement of the $\mathbb Z_2$ gauge fields, the system reacts with changing its nature from the conventional normal metal with an FS to an orthogonal metal of nFL without FS and quasiparticles and yet still responds to magnetic probe like an FL. Such a quantum phase transition from a normal metal to an orthogonal metal, with its electronic and magnetic spectral properties revealed, is calling for the establishment of new paradigm of quantum metals and their transition with conventional ones., Comment: 7 + 2 pages, 4 + 1 figures

This review summarizes recent developments in the study of fermionic quantum criticality, focusing on new progress in numerical methodologies, especially quantum Monte Carlo methods, and insights that emerged from recently large-scale numerical simulations. Quantum critical phenomena in fermionic systems have attracted decades of extensive research efforts, partially lured by their exotic properties and potential technology applications and partially awaked by the profound and universal fundamental principles that govern these quantum critical systems. Due to the complex and non-perturbative nature, these systems belong to the most difficult and challenging problems in the study of modern condensed matter physics, and many important fundamental problems remain open. Recently, new developments in model design and algorithm improvements enabled unbiased large-scale numerical solutions to be achieved in the close vicinity of these quantum critical points, which paves a new pathway towards achieving controlled conclusions through combined efforts of theoretical and numerical studies, as well as possible theoretical guidance for experiments in heavy-fermion compounds, Cu-based and Fe-based superconductors, ultra-cold fermionic atomic gas, twisted graphene layers, etc., where signatures of fermionic quantum criticality exist., Comment: 23 pages, 13 figures, invited Topical Review article, comments on content and references are welcome

An extended Hubbard model on a honeycomb lattice with two orbitals per site at charge neutrality is investigated with unbiased large-scale quantum Monte Carlo simulations. The Fermi velocity of the Dirac fermions is renormalized as the cluster charge interaction increases, until a mass term emerges and a quantum phase transition from Dirac semi-metal to valence bond solid (VBS) insulator is established. The quantum critical point is discovered to belong to 3D $N=4$ Gross-Neveu chiral XY universality with the critical exponents obtained at high precision. Further enhancement of the interaction drives the system into two different VBS phases, the properties and transition between them are also revealed. Since the model is related to magic-angle twisted bilayer graphene, our results may have relevance towards the symmetry breaking order at the charge neutrality point of the material, and associate the wide range of universal strange metal behavior around it with quantum critical fluctuations., Comment: 5+5 pages, 5+3 figures, 0+1 table

In our previous work [arXiv:1803.00999, Phys. Rev. Lett. 121, 046401 (2018)], we found a quantum spin liquid phase with a spinon Fermi surface in the two dimensional spin-1/2 Heisenberg model with four-spin ring exchange on a triangular lattice. In this work we dope the spinon Fermi surface phase by studying the $t$-$J$ model with four-spin ring exchange. We perform density matrix renormalization group calculations on four-leg cylinders of a triangular lattice and find that the dominant pair correlation function is that of a pair density wave; i.e., it is oscillatory while decaying with distance with a power law. The doping dependence of the period is studied. This is the first example where pair density wave is the dominant pairing in a generic strongly interacting system where the pair density wave cannot be explained as a composite order and no special symmetry is required., Comment: 4+2 pages, 4+4 figures

The spontaneous generation of charge-density-wave order in a Dirac fermion system via the natural mechanism of electron-phonon coupling is studied in the framework of the Holstein model on the honeycomb lattice. Using two independent and unbiased quantum Monte Carlo methods, the phase diagram as a function of temperature and coupling strength is determined. It features a quantum critical point as well as a line of thermal critical points. Finite-size scaling appears consistent with fermionic Gross-Neveu-Ising universality for the quantum phase transition, and bosonic Ising universality for the thermal phase transition. The critical temperature has a maximum at intermediate couplings. Our findings motivate experimental efforts to identify or engineer Dirac systems with sufficiently strong and tunable electron-phonon coupling., Comment: 4+3 pages, 4+2 figures

Metallic quantum criticality is among the central theme in the understanding of correlated electronic systems, and converging results between analytical and numerical approaches are still under calling. In this work, we develop state-of-art large scale quantum Monte Carlo simulation technique and systematically investigate the itinerant quantum critical point on a 2D square lattice with antiferromagnetic spin fluctuations at wavevector $\mathbf{Q}=(\pi,\pi)$ -- a problem that resembles the Fermi surface setup and low-energy antiferromagnetic fluctuations in high-Tc cuprates and other critical metals, which might be relevant to their non-Fermi-liquid behaviors. System sizes of $60\times 60 \times 320$ ($L \times L \times L_\tau$) are comfortably accessed, and the quantum critical scaling behaviors are revealed with unprecedingly high precision. We found that the antiferromagnetic spin fluctuations introduce effective interactions among fermions and the fermions in return render the bare bosonic critical point into a new universality, different from both the bare Ising universality class and the Hertz-Mills-Moriya RPA prediction. At the quantum critical point, a finite anomalous dimension $\eta\sim 0.125$ is observed in the bosonic propagator, and fermions at hot spots evolve into a non-Fermi-liquid. In the antiferromagnetically ordered metallic phase, fermion pockets are observed as energy gap opens up at the hot spots. These results bridge the recent theoretical and numerical developments in metallic quantum criticality and can be served as the stepping stone towards final understanding of the 2D correlated fermions interacting with gapless critical excitations., Comment: 11 pages, 10 figures, revised version with more discussion and updated references

The interplay between lattice gauge theories and fermionic matter accounts for fundamental physical phenomena ranging from the deconfinement of quarks in particle physics to quantum spin liquid with fractionalized anyons and emergent gauge structures in condensed matter physics. However, except for certain limits (for instance large number of flavors of matter fields), analytical methods can provide few concrete results. Here we show that the problem of compact $U(1)$ lattice gauge theory coupled to fermionic matter in $(2+1)$D is possible to access via sign-problem-free quantum Monte Carlo simulations. One can hence map out the phase diagram as a function of fermion flavors and the strength of gauge fluctuations. By increasing the coupling constant of the gauge field, gauge confinement in the form of various spontaneous symmetry breaking phases such as valence bond solid (VBS) and N\'eel antiferromagnet emerge. Deconfined phases with algebraic spin and VBS correlation functions are also observed. Such deconfined phases are an incarnation of exotic states of matter, $i.e.$ the algebraic spin liquid, which is generally viewed as the parent state of various quantum phases. The phase transitions between deconfined and confined phases, as well as that between the different confined phases provide various manifestations of deconfined quantum criticality. In particular, for four flavors, $N_f = 4$, our data suggests a continuous quantum phase transition between the VBS and N\'{e}el order. We also provide preliminary theoretical analysis for these quantum phase transitions., Comment: 16 pages, 16 figures

Using large-scale quantum Monte Carlo simulations, we exactly solve a model of Fermions hopping on the honeycomb lattice with cluster charge interactions, which has been proposed as an effective model with possible application to twisted bilayer graphene near half-filling. We find an interaction driven semimetal to insulator transition to an insulating phase consisting of a valence bond solid with Kekul\'e pattern. Finite size scaling reveals that the phase transition of the semimetal to Kekul\'e valence bond solid phase is continuous and belongs to chiral XY universality class., Comment: 4+1 pages, 4 figures

1T-TaS$_2$ is a cluster Mott insulator on the triangular lattice with 13 Ta atoms forming a star of David cluster as the unit cell. We derive a two dimensional XXZ spin-1/2 model with four-spin ring exchange term to describe the effective low energy physics of a monolayer 1T-TaS$_2$, where the effective spin-1/2 degrees of freedom arises from the Kramers degenerate spin-orbital states on each star of David. A large scale density matrix renormalization group simulation is further performed on this effective model and we find a gapless spin liquid phase with spinon Fermi surface at moderate to large strength region of four-spin ring exchange term. All peaks in the static spin structure factor are found to be located on the "$2k_F$" surface of half-filled spinon on the triangular lattice. Experiments to detect the spinon Fermi surface phase in 1T-TaS$_2$ are discussed., Comment: 5+11 pages, 4+13 figures

Self-learning Monte Carlo method (SLMC), using a trained effective model to guide Monte Carlo sampling processes, is a powerful general-purpose numerical method recently introduced to speed up simulations in (quantum) many-body systems. In this work, we further improve the efficiency of SLMC by enforcing physical symmetries on the effective model. We demonstrate its effectiveness in the Holstein Hamiltonian, one of the most fundamental many-body descriptions of electron-phonon coupling. Simulations of the Holstein model are notoriously difficult due to the combination of the typical cubic scaling of fermionic Monte Carlo and the presence of extremely long autocorrelation times. Our method addresses both bottlenecks. This enables simulations on large lattices in the most difficult parameter regions, and evaluation of the critical point for the charge density wave transition at half-filling with high precision. We argue that our work opens a new research area of quantum Monte Carlo (QMC), providing a general procedure to deal with ergodicity in situations involving Hamiltonians with multiple, distinct low energy states., Comment: 4 pages, 3 figures with 2 pages supplemental material

One bottleneck of quantum Monte Carlo (QMC) simulation of strongly correlated electron systems lies at the scaling relation of computational complexity with respect to the system sizes. For generic lattice models of interacting fermions, the best methodology at hand still scales with $\beta N^3$ where $\beta$ is the inverse temperature and $N$ is the system size. Such scaling behavior has greatly hampered the accessibility of the universal infrared (IR) physics of many interesting correlated electron models at (2+1)D, let alone (3+1)D. To reduce the computational complexity, we develop a new QMC method with inhomogeneous momentum-space mesh, dubbed elective momentum ultra-size quantum Monte Carlo (EQMC) method. Instead of treating all fermionic excitations on an equal footing as in conventional QMC methods, by converting the fermion determinant into the momentum space, our method focuses on fermion modes that are directly associated with low-energy (IR) physics in the vicinity of the so-called hot-spots, while other fermion modes irrelevant for universal properties are ignored. As shown in the manuscript, for any cutoff-independent quantities, e.g. scaling exponents, this method can achieve the same level of accuracy with orders of magnitude increase in computational efficiency. We demonstrate this method with a model of antiferromagnetic itinerant quantum critical point, realized via coupling itinerant fermions with a frustrated transverse-field Ising model on a triangle lattice. The system size of $48 \times 48 \times 32$ ($L\times L\times\beta$, almost 3 times of previous investigations) are comfortably accessed with EQMC. With much larger system sizes, the scaling exponents are unveiled with unprecedentedly high accuracy, and this result sheds new light on the open debate about the nature and the universality class of itinerant quantum critical points., Comment: 9 pages, 4 figures

Employing the self-learning quantum Monte Carlo algorithm, we investigate the frustrated transverse-field triangle-lattice Ising model coupled to a Fermi surface. Without fermions, the spin degrees of freedom undergoes a second-order quantum phase transition between paramagnetic and clock-ordered phases. This quantum critical point (QCP) has an emergent U(1) symmetry and thus belongs to the (2+1)D XY universality class. In the presence of fermions, spin fluctuations introduce effective interactions among fermions and distort the bare Fermi surface towards an interacting one with hot spots and Fermi pockets. Near the QCP, non-Fermi-liquid behavior are observed at the hot spots, and the QCP is rendered into a different universality with Hertz-Millis type exponents. The detailed properties of this QCP and possibly related experimental systems are also discussed., Comment: 9 pages, 8 figures

We report discovery of a topological Mott insulator in strongly-correlated Dirac semimetals. Such an interaction-driven topological state has been theoretically proposed but not yet observed with unbiased large scale numerical simulations. In our model, interactions between electrons are mediated by Ising spins in a transverse field. The results indicate that the topological mass term is dynamically generated and the resulting quantum phase transition belongs to the (2+1)D $N=8$ chiral Ising universality class. These conclusions stem from large scale sign free quantum Monte Carlo simulations., Comment: 6 pages and three figures in main text; 13 pages and 13 figures in Supplemental Material

We construct a two-dimensional lattice model of fermions coupled to Ising ferromagnetic critical fluctuations. Using extensive sign-problem-free quantum Monte Carlo simulations, we show that the model realizes a continuous itinerant quantum phase transition. In comparison with other similar itinerant quantum critical points (QCPs), our QCP shows much weaker superconductivity tendency with no superconducting state down to the lowest temperature investigated, hence making the system a good platform for the exploration of quantum critical fluctuations. Remarkably, clear signatures of non-Fermi-liquid behavior in the fermion propagators are observed at the QCP. The critical fluctuations at the QCP partially resemble Hertz-Millis-Moriya behavior. However, careful scaling analysis reveals that the QCP belongs to a different universality class, deviating from both (2+1)d Ising and Hertz-Millis-Moriya predictions., Comment: 12 pages, 14 figures