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The experimental discovery of the fractional Hall conductivity in two-dimensional electron gases revealed new types of quantum particles, called anyons, which are beyond bosons and fermions as they possess fractionalized exchange statistics. These anyons are usually studied deep inside an insulating topological phase. It is natural to ask whether such fractionalization can be detected more broadly, say near a phase transition from a conventional to a topological phase. To answer this question, we study a strongly correlated quantum phase transition between a topological state, called a \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${{\mathbb{Z}}}_{2}$$\end{document}Z2 quantum spin liquid, and a conventional superfluid using large-scale quantum Monte Carlo simulations. Our results show that the universal conductivity at the quantum critical point becomes a simple fraction of its value at the conventional insulator-to-superfluid transition. Moreover, a dynamically self-dual optical conductivity emerges at low temperatures above the transition point, indicating the presence of the elusive vison particles. Our study opens the door for the experimental detection of anyons in a broader regime, and has ramifications in the study of quantum materials, programmable quantum simulators, and ultra-cold atomic gases. In the latter case, we discuss the feasibility of measurements in optical lattices using current techniques., Conventional quantum particles can break up into fractionalized excitations under the right conditions; however, their direct experimental observation is challenging. Here, the authors predict strong optical conductivity signatures of such excitations in the vicinity of a topological phase transition.

Frustrated magnets host the promises of material realizations of new paradigm of quantum matter, while direct comparison of unbiased model calculations with experimental measurements is still very challenging. Here, we design and implement a protocol of employing many-body computation methodologies for accurate model calculation -- both equilibrium and dynamical properties -- of a frustrated rare-earth magnet TmMgGaO$_4$ (TMGO), which perfectly explains the corresponding experimental findings. Our results confirm TMGO is an ideal realization of triangular-lattice Ising model with an intrinsic transverse field. The magnetic order of TMGO is predicted to melt through two successive Kosterlitz-Thouless (KT) phase transitions, with a floating KT phase in between. The dynamical spectra calculated suggest remnant images of a vanishing magnetic stripe order that represent vortex-antivortex pairs, resembling rotons in a superfluid helium film. TMGO therefore constitutes a rare quantum magnet for realizing KT physics and we further propose experimental detections of its intriguing properties., Comment: 18 pages, 5 figures, supplementary information

We investigate the amplitude (Higgs) mode associated with longitudinal fluctuations of the order parameter at the continuous spontaneous symmetry breaking phase transition. In quantum magnets, due to the fast decay of the amplitude mode into low-energy Goldstone excitations, direct observation of this mode represents a challenging task. By focusing on a quasi-one-dimensional geometry, we circumvent the difficulty and investigate the amplitude mode in a system of weakly coupled spin chains with the help of quantum Monte Carlo simulations, stochastic analytic continuation, and a chain-mean field approach combined with a mapping to the field-theoretic sine-Gordon model. The amplitude mode is observed to emerge in the longitudinal spin susceptibility in the presence of a weak symmetry-breaking staggered field. A conventional measure of the amplitude mode in higher dimensions, the singlet bond mode, is found to appear at a lower than the amplitude mode frequency. We identify these two excitations with the second (first) breather of the sine-Gordon theory, correspondingly. In contrast to higher-dimensional systems, the amplitude and bond order fluctuations are found to carry significant spectral weight in the quasi-1D limit., Comment: 16 pages and 8 figures

We analyze the phase diagram of the spin-$\frac{1}{2}$ Yukawa--Sachdev-Ye-Kitaev model, which describes complex spin-$\frac{1}{2}$ fermions randomly interacting with real bosons via a Yukawa coupling, at finite temperatures and varying fermion density. A recent work [Wang and Chubukov, Phys. Rev. Res. 2, 033084 (2020).] showed that, upon varying the filling or chemical potential, a first-order quantum phase transition exists between a non-Fermi-liquid (NFL) phase and an insulating phase. Here we show that in such a model with time-reversal symmetry this quantum phase transition is preempted by a pairing phase that develops as a low-temperature instability. As a remnant of the would-be NFL-insulator transition, the superconducting critical temperature rapidly decreases beyond a certain chemical potential. On the other hand, depending on the parameters, the first-order quantum phase transition extends to finite temperatures and terminates at a thermal critical point, beyond which the NFL and the insulator become the same phase, similar to that of the liquid-gas and metal-insulator transition in real materials. We determine the pairing phase boundary and the location of the thermal critical point via combined analytic and quantum Monte Carlo numeric efforts. Our results provide a model realization of the transition of NFLs towards superconductivity and insulating states and therefore offer a controlled platform for future investigations of the generic phase diagram that hosts a NFL, insulator, and superconductor and their phase transitions.

Understanding quantum many-body states of correlated electrons is one main theme in modern condensed-matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, was recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Chen et al., Phys. Rev. X 8, 031082 (2018)], complemented by independent determinant quantum Monte Carlo, offers a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to an unprecedented low temperature of a few percent of the tunneling energy. We observe excellent agreement with ultracold fermion measurements at both half filling and finite doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behaviors of the antimoments.

We construct a lattice model of topological order (kagome quantum spin liquids) and solve it with unbiased quantum Monte Carlo simulations. A three-stage anyon condensation with two transitions from a $\mathbb Z_2\boxtimes\mathbb Z_2$ topological order to a $\mathbb Z_2$ topological order and eventually to a trivial symmetric phase is revealed. These results provide concrete examples of phase transitions between topological orders in quantum magnets. The designed quantum spin liquid model and its numerical solution offer a playground for further investigations on vestigial anyon condensation., Comment: 7 pages, 9 figures

We consider the effect of the coupling between 2D quantum rotors near an XY ferromagnetic quantum critical point and spins of itinerant fermions. We analyze how this coupling affects the dynamics of rotors and the self-energy of fermions.A common belief is that near a $q=0$ ferromagnetic transition, fermions induce an $\Omega/q$ Landau damping of rotors (i.e., the dynamical critical exponent is $z=3$) and Landau overdamped rotors give rise to non-Fermi liquid fermionic self-energy $\Sigma\propto \omega^{2/3}$. This behavior has been confirmed in previous quantum Monte Carlo (QMC) studies.Here we show that for the XY case the behavior is different.We report the results of large scale quantum Monte Carlo simulations,which show that at small frequencies $z=2$ and $\Sigma\propto \omega^{1/2}$. We argue that the new behavior is associated with the fact that a fermionic spin is by itself not a conserved quantity due to spin-spin coupling to rotors, and a combination of self-energy and vertex corrections replaces $1/q$ in the Landau damping by a constant. We discuss the implication of these results to experiments., Comment: 12 pages, 5 figures

The fluctuations of massless Dirac fermion can not only turn a first-order bosonic phase transition (in the Landau sense) to a quantum critical point, but also work reversely to enhance the first-order transition itself, depending on the implementation of finite size effects in the coupling corrections. Here, we report a case study of the latter by employing quantum Monte Carlo simulation upon a lattice model in which the bosonic part featuring the Landau-Devonshire first-order phase transition and Yukawa coupled to the Dirac fermions. We find that the parameter range for the first-order phase transition becomes larger as the Yukawa coupling increases and the microscopic mechanism of this phenomena is revealed, at a quantitative level, as the interplay between the critical fluctuations and the finite-size effects. Moreover, the scaling behavior at the separation point between the first-order and the continuous phase transitions is found to belong to the chiral tricritical Gross-Neveu universality. Our result demonstrates that the interplay of massless Dirac fermions, critical fluctuations and the finite size effects could trigger a plethora of interesting phenomena and therefore great care is called for when making generalizations., 9 pages, 6 figures

The Berezinskii-Kosterlitz-Thouless (BKT) mechanism, building upon proliferation of topological defects in 2D systems, is the first example of phase transition beyond the Landau-Ginzburg paradigm of symmetry breaking. Such a topological phase transition has long been sought yet undiscovered directly in magnetic materials. Here, we pin down two transitions that bound a BKT phase in an ideal 2D frustrated magnet TmMgGaO$_4$, via nuclear magnetic resonance under in-plane magnetic fields, which do not disturb the low-energy electronic states and allow BKT fluctuations to be detected sensitively. Moreover, by applying out-of-plane fields, we find a critical scaling behaviour of the magnetic susceptibility expected for the BKT transition. The experimental findings can be explained by quantum Monte Carlo simulations applied on an accurate triangular-lattice Ising model of the compound which hosts a BKT phase. These results provide a concrete example for the BKT phase and offer an ideal platform for future investigations on the BKT physics in magnetic materials., Comment: Version as accepted by Nature Communications, main text: 7 pages, 3 figures; supplementary information: 5 pages, 7 figures

Over the past several years, reliable quantum Monte Carlo results for the charge density wave transition temperature ${T}_{\mathrm{cdw}}$ of the half-filled two-dimensional Holstein model in square and honeycomb lattices have become available for the first time. Exploiting the further development of numerical methodology, here we present results in three dimensions, which are made possible through the use of Langevin evolution of the quantum phonon degrees of freedom. In addition to determining ${T}_{\mathrm{cdw}}$ from the scaling of the charge correlations, we also examine the nature of charge order at general wave vectors for different temperatures, couplings, and phonon frequencies, and the behavior of the spectral function and specific heat.

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

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

Among the quantum many-body models that host anyon excitation and topological orders, quantum dimer models (QDM) provide a unique playground for studying the relation between single-anyon and multi-anyon continuum spectra. However, as the prototypical correlated system with local constraints, the generic solution of QDM at different lattice geometry and parameter regimes is still missing due to the lack of controlled methodologies. Here we obtain, via the newly developed sweeping cluster quantum Monte Carlo algorithm, the excitation spectra in different phases of the triangular lattice QDM. Our results reveal the single vison excitations inside the $Z_2$ quantum spin liquid (QSL) and its condensation towards the $\sqrt{12}\times\sqrt{12}$ valence bond solid (VBS), and demonstrate the translational symmetry fractionalization and emergent O(4) symmetry at the QSL-VBS transition. We find the single vison excitations, whose convolution qualitatively reproduces the dimer spectra, are not free but subject to interaction effects throughout the transition. The nature of the VBS with its O(4) order parameters are unearthed in full scope. Our approach opens the avenue for generic solution of the static and dynamic properties of QDMs and has relevance towards the realization and detection of fractional excitations in programmable quantum simulators., 4+6 pages,3+2 figures

We report heat capacity measurements of ${\mathrm{SrCu}}_{2}({\mathrm{BO}}_{3}{)}_{2}$ under high pressure along with simulations of relevant quantum spin models and map out the $(P,T)$ phase diagram of the material. We find a first-order quantum phase transition between the low-pressure quantum dimer paramagnet and a phase with signatures of a plaquette-singlet state below $T=2\text{ }\text{ }\mathrm{K}$. At higher pressures, we observe a transition into a previously unknown antiferromagnetic state below 4 K. Our findings can be explained within the two-dimensional Shastry-Sutherland quantum spin model supplemented by weak interlayer couplings. The possibility to tune ${\mathrm{SrCu}}_{2}({\mathrm{BO}}_{3}{)}_{2}$ between the plaquette-singlet and antiferromagnetic states opens opportunities for experimental tests of quantum field theories and lattice models involving fractionalized excitations, emergent symmetries, and gauge fluctuations.

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., 15 pages, 9 figures, 2 tables

In this paper, we study the quantum criticality of Dirac fermions via large-scale numerical simulations, focusing on the Gross-Neveu-Yukawa chiral-Ising quantum critical point (QCP) with critical bosonic modes coupled with Dirac fermions. We show that finite-size effects at this QCP can be efficiently minimized via model design, which maximizes the ultraviolet cutoff and at the same time places the bare control parameters closer to the nontrivial fixed point to better expose the critical region. Combined with the efficient self-learning quantum Monte Carlo algorithm, which enables a nonlocal update of the bosonic field, we find that moderately large system size (up to $16\ifmmode\times\else\texttimes\fi{}16$) is already sufficient to produce robust scaling behavior and critical exponents. The conductance of free Dirac fermions is also calculated, and its frequency dependence is found to be consistent with the scaling behavior predicted by the conformal field theory. The methods and model-design principles developed for this study can be generalized to other fermionic QCPs, and thus provide a promising direction for controlled studies of strongly correlated itinerant systems.

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

Magic-angle twisted bilayer graphene has recently become a thriving material platform realizing correlated electron phenomena taking place within its topological flat bands. Several numerical and analytical methods have been applied to understand the correlated phases therein, revealing some similarity with the quantum Hall physics. In this work, we provide a Mott-Hubbard perspective for the TBG system. Employing the large-scale density matrix renormalization group on the lattice model containing the projected Coulomb interactions only, we identify a first-order quantum phase transition between the insulating stripe phase and the quantum anomalous Hall state with the Chern number of $\pm 1$. Our results not only shed light on the mechanism of the quantum anomalous Hall state discovered at three-quarters filling, but also provide an example of the topological Mott insulator, i.e., the quantum anomalous Hall state in the strong coupling limit., Comment: 6+7 pages, 3+7 figures

Non-Fermi liquids (NFL) are a class of strongly interacting gapless fermionic systems without long-lived quasiparticle excitations. An important group of NFL model features itinerant fermions coupled to soft bosonic fluctuations near a quantum-critical point (QCP), and are widely believed to capture the essential physics of many unconventional superconductors. However numerically the direct observation of a canonical NFL behavior in such systems, characterized by a power-law form in the Green's function, has been elusive. Here we consider a Sachdev-Ye-Kitaev (SYK)-like model with random Yukawa interaction between critical bosons and fermions (dubbed Yukawa-SYK model). We show it is immune from minus-sign problem and hence can be solved exactly via large-scale quantum Monte Carlo simulation beyond the large-$N$ limit accessible to analytical approaches. Our simulation demonstrates the Yukawa-SYK model features "self-tuned quantum criticality", namely the system is critical independent of the bosonic bare mass. We put these results to test at finite $N$, and our unbiased numerics reveal clear evidence of these exotic quantum-critical NFL properties -- the power-law behavior in Green's function of fermions and bosons -- which propels the theoretical understanding of critical Planckian metals and unconventional superconductors., Comment: 13 pages, 8 figures

The antiferromagnetism in $\ensuremath{\alpha}\ensuremath{-}{\mathrm{Cu}}_{3}\mathrm{Mg}{(\mathrm{OH})}_{6}{\mathrm{Br}}_{2}$ was studied by magnetic-susceptibility, specific-heat, and neutron-diffraction measurements. The crystal structure consists of ${\mathrm{Cu}}^{2+}$ kagome layers with ${\mathrm{Mg}}^{2+}$ ions occupying the centers of the hexagons, separated by ${\mathrm{Br}}^{1\ensuremath{-}}$ ions. The magnetic system orders antiferromagnetically at 5.4 K with the magnetic moments aligned ferromagnetically within the kagome planes. The ordered moment is $0.94{\ensuremath{\mu}}_{B}$, suggesting little quantum and geometrical fluctuations. By comparing the magnetic and specific-heat properties with those of the haydeeite, we suggest that $\ensuremath{\alpha}\ensuremath{-}{\mathrm{Cu}}_{3}\mathrm{Mg}{(\mathrm{OH})}_{6}{\mathrm{Br}}_{2}$ may be described by the two-dimensional spin-$1/2$ Heisenberg kagome model and is in the region of the ferromagnetic-order side of the phase diagram.

The deconfined quantum critical point (DQCP) was originally proposed as a continuous transition between two spontaneous symmetry breaking phases in 2D spin-1/2 systems. While great efforts have been spent on the DQCP for 2D systems, both theoretically and numerically, ambiguities among the nature of the transition are still not completely clarified. Here we shift the focus to a recently proposed 1D incarnation of DQCP in a spin-1/2 chain. By solving it with the variational matrix product state in the thermodynamic limit, a continuous transition between a valence-bond solid phase and a ferromagnetic phase is discovered. The scaling dimensions of various operators are calculated and compared with those from field theoretical description. At the critical point, two emergent O(2) symmetries are revealed, and the associated conserved current operators with exact integer scaling dimensions are determined with scrutiny. Our findings provide the low-dimensional analog of DQCP where unbiased numerical results are in perfect agreement with the controlled field theoretical predictions and have extended the realm of the unconventional phase transition as well as its identification with the advanced numerical methodology., 9 pages + references + appendix, 9 figures

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., 11 pages, 6 figures

Noether's theorem is one of the fundamental laws of physics, relating continuous symmetries and conserved currents. Here we explore the role of Noether's theorem at the deconfined quantum critical point (DQCP), which is a quantum phase transition beyond the Landau-Ginzburg-Wilson paradigm. It was expected that a larger continuous symmetry could emerge at the DQCP, which, if true, should lead to conserved current at low energy. By identifying the emergent current fluctuation in the spin excitation spectra, we can quantitatively study the current-current correlation in large-scale quantum Monte Carlo simulations. Our results reveal the conservation of the emergent current, as signified by the vanishing anomalous dimension of the current operator, and hence provide supporting evidence for the emergent symmetry at the DQCP. Our study demonstrates an elegant yet practical approach to detect emergent symmetry by probing the spin excitation, which could potentially guide the ongoing experimental search for the DQCP in quantum magnets.

Electron-electron interactions play an important role in graphene and related systems and can induce exotic quantum states, especially in a stacked bilayer with a small twist angle(1-7). For bilayer graphene where the two layers are twisted by the 'magic angle', flat band and strong many-body effects lead to correlated insulating states and superconductivity(4-7). In contrast to monolayer graphene, the band structure of untwisted bilayer graphene can be further tuned by a displacement field(8-10), providing an extra degree of freedom to control the flat band that should appear when two bilayers are stacked on top of each other. Here, we report the discovery and characterization of displacement field-tunable electronic phases in twisted double bilayer graphene. We observe insulating states at a half-filled conduction band in an intermediate range of displacement fields. Furthermore, the resistance gap in the correlated insulator increases with respect to the in-plane magnetic fields and we find that the g factor, according to the spin Zeeman effect, is 2, indicating spin polarization at half-filling. These results establish twisted double bilayer graphene as an easily tunable platform for exploring quantum many-body states., Placing two Bernal-stacked graphene bilayers on top of each other with a small twist angle gives correlated states. As the band structure can be tuned by an electric field, this platform is a more varied setting to study correlated electrons.

Recent experiments [J. Guo et al., Phys. Rev. Lett.124,206602 (2020)] on thermodynamic properties of the frustrated layered quantum magnet SrCu$_2$(BO$_3$)$_2$ -- the Shastry-Sutherland material -- have provided strong evidence for a low-temperature phase transition between plaquette-singlet and antiferromagnetic order as a function of pressure. Further motivated by the recently discovered unusual first-order quantum phase transition with an apparent emergent O(4) symmetry of the antiferromagnetic and plaquette-singlet order parameters in a two-dimensional "checkerboard J-Q" quantum spin model [B. Zhao et al., Nat. Phys. 15, 678 (2019)], we here study the same model in the presence of weak inter-layer couplings. Our focus is on the evolution of the emergent symmetry as the system crosses over from two to three dimensions and the phase transition extends from strictly zero temperature in two dimensions up to finite temperature as expected in SrCu$_2$(BO$_3$)$_2$. Using quantum Monte Carlo simulations, we map out the phase boundaries of the plaquette-singlet and antiferromagnetic phases, with particular focus on the triple point where these two order phases meet the paramagnetic phase for given strength of the inter-layer coupling. All transitions are first-order in the neighborhood of the triple points. We show that the emergent O(4) symmetry of the coexistence state breaks down clearly when the interlayer coupling becomes sufficiently large, but for a weak coupling, of the magnitude expected experimentally, the enlarged symmetry can still be observed at the triple point up to significant length scales. Thus, it is likely that the plaquette-singlet to antiferromagnetic transition in SrCu$_2$(BO$_3$)$_2$ exhibits remnants of emergent O(4) symmetry, which should be observable due to additional weakly gapped Goldstone modes., Comment: 14 pages, 8 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., 4+3 pages, 4+2 figures

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 semimetal to valence bond solid (VBS) insulator is established. The quantum critical point is discovered to belong to the 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.

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 $\ensuremath{\beta}{N}^{3}$ where $\ensuremath{\beta}$ 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 ultrasize 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 paper, 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 $48\ifmmode\times\else\texttimes\fi{}48\ifmmode\times\else\texttimes\fi{}32$ ($L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}\ensuremath{\beta}$, 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.

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

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

Deconfined quantum critical points govern continuous quantum phase transitions at which fractionalized (deconfined) degrees of freedom emerge. Here we study dynamical signatures of the fractionalized excitations in a quantum magnet (the easy-plane J-Q model) that realize a deconfined quantum critical point with emergent O(4) symmetry. By means of large-scale quantum Monte Carlo simulations and stochastic analytic continuation of imaginary-time correlation functions, we obtain the dynamic spin structure factors in the $S^{x}$ and $S^{z}$ channels. In both channels, we observe broad continua that originate from the deconfined excitations. We further identify several distinct spectral features of the deconfined quantum critical point, including the lower edge of the continuum and its form factor on moving through the Brillouin Zone. We provide field-theoretical and lattice model calculations that explain the overall shapes of the computed spectra, which highlight the importance of interactions and gauge fluctuations to explaining the spectral-weight distribution. We make further comparisons with the conventional Landau O(2) transition in a different quantum magnet, at which no signatures of fractionalization are observed. The distinctive spectral signatures of the deconfined quantum critical point suggest the feasibility of its experimental detection in neutron scattering and nuclear magnetic resonance experiments., 13 pages, 8 figures and 2 appendices

Barlowite ${\mathrm{Cu}}_{4}{(\mathrm{OH})}_{6}\mathrm{FBr}$ shows three-dimensional (3D) long-range antiferromagnetism, which is fully suppressed in ${\mathrm{Cu}}_{3}\mathrm{Zn}{(\mathrm{OH})}_{6}\mathrm{FBr}$ with a kagome quantum spin liquid ground state. Here we report systematic studies on the evolution of magnetism in the ${\mathrm{Cu}}_{4\ensuremath{-}x}{\mathrm{Zn}}_{x}{(\mathrm{OH})}_{6}\mathrm{FBr}$ system as a function of $x$ to bridge the two limits of ${\mathrm{Cu}}_{4}{(\mathrm{OH})}_{6}\mathrm{FBr}\phantom{\rule{0.28em}{0ex}}(x=0)$ and ${\mathrm{Cu}}_{3}\mathrm{Zn}{(\mathrm{OH})}_{6}\mathrm{FBr}\phantom{\rule{0.28em}{0ex}}(x=1)$. Neutron-diffraction measurements reveal a hexagonal-to-orthorhombic structural change with decreasing temperature in the $x=0$ sample. While confirming the 3D antiferromagnetic nature of low-temperature magnetism, the magnetic moments on some ${\mathrm{Cu}}^{2+}$ sites on the kagome planes are found to be vanishingly small, suggesting strong frustration already exists in barlowite. Substitution of interlayer ${\mathrm{Cu}}^{2+}$ with ${\mathrm{Zn}}^{2+}$ with gradually increasing $x$ completely suppresses the bulk magnetic order at around $x=0.4$ but leaves a local secondary magnetic order up to $x\ensuremath{\sim}0.8$ with a slight decrease in its transition temperature. The high-temperature magnetic susceptibility and specific-heat measurements further suggest that the intrinsic magnetic properties of kagome spin liquid planes may already appear from $xg0.3$ samples. Our results reveal that the ${\mathrm{Cu}}_{4\ensuremath{-}x}{\mathrm{Zn}}_{x}{(\mathrm{OH})}_{6}\mathrm{FBr}$ may be the long-thought experimental playground for the systematic investigations of the quantum phase transition from a long-range antiferromagnet to a topologically ordered quantum spin liquid.

The nontrivialness of quantum spin liquid (QSL) typically manifests in the non-local observables that signifies their existence, however, this fact actually casts shadow on detecting QSL with experimentally accessible probes. Here, we provide a solution by unbiasedly demonstrating dynamical signature of anyonic excitations and symmetry fractionalization in QSL. Employing large-scale quantum Monte Carlo simulation and stochastic analytic continuation, we investigate the extended XXZ model on the kagome lattice, and find out that across the phase transitions from Z2 QSLs to different symmetry breaking phases, spin spectral functions can reveal the presence and condensation of emergent anyonic spinon and vison excitations, in particular the translational symmetry fractionalization of the latter, which can be served as the unique dynamical signature of the seemingly ephemeral QSLs in spectroscopic techniques such as inelastic neutron or resonance (inelastic) X-ray scatterings., 8 pages,6 figures

Employing large-scale quantum Monte Carlo simulations, we study the extended $XXZ$ model on the kagome lattice. A $\mathbb Z_2$ quantum spin liquid phase with effective even Ising gauge field structure emerges from the delicate balance among three symmetry-breaking phases including stripe solid, staggered solid and ferromagnet. This $\mathbb{Z}_2$ spin liquid is stabilized by an extended interaction related to the Rokhsar-Kivelson potential in the quantum dimer model limit. The phase transitions from the staggered solid to a spin liquid or ferromagnet are found to be first order and so is the transition between the stripe solid and ferromagnet. However, the transition between a spin liquid and ferromagnet is found to be continuous and belongs to the 3D $XY^*$ universality class associated with the condensation of spinons. The transition between a spin liquid and stripe solid appears to be continuous and associated with the condensation of visons., Comment: 7 pages, 8 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

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

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., 4 pages, 3 figures with 2 pages supplemental material

The search for quantum spin liquid (QSL) materials has attracted significant attention in the field of condensed matter physics in recent years, but until now only a handful of them are considered as candidates hosting QSL ground state. Owning to their geometrically frustrated structure, Kagome materials are ideal system to realize QSL. In this study, we synthesized the kagome structured material Claringbullite (Cu$_4$(OH)$_6$FCl) and then performed Zn doping to form Cu$_3$Zn(OH)$_6$FCl. Comprehensive measurements reveal that doping Zn$^{2+}$ ions transforms magnetically ordered Cu$_4$(OH)$_6$FCl into a non-magnetic QSL candidate Cu$_3$Zn(OH)$_6$FCl. Therefore, the successful syntheses of Cu$_4$(OH)$_6$FCl and Cu$_3$Zn(OH)$_6$FCl not only provide a new platform for the study of QSL but also a novel pathway of investigating the transition between QSL and magnetically ordered systems.

We study the dynamic spin structure factor of the spin-$1/2$ square-lattice Heisenberg antiferromagnet and of the $J$-$Q$ model (with 4-spin interactions $Q$ and Heisenberg exchange $J$). Using an improved method for stochastic analytic continuation of imaginary-time correlation functions computed with QMC simulations, we can treat the sharp ($\delta$-function) contribution from spinwaves (magnons) and a continuum at higher energy. The results for the Heisenberg model agree with neutron scattering experiments on Cu(DCOO)$_2$$\cdot$4D$_2$O, where a broad spectral-weight continuum at $q=(\pi,0)$ was interpreted as deconfined spinons. Our results at $(\pi,0)$ show a similar reduction of the magnon weight and a large continuum, while the continuum is much smaller at $q=(\pi/2,\pi/2)$ (as also seen experimentally). Turning on $Q$, we observe a rapid reduction of the $(\pi,0)$ magnon weight to zero, well before the deconfined quantum phase transition into a spontaneously dimerized state. We re-interpret the picture of deconfined spinons at $(\pi,0)$ in the experiments as nearly deconfined spinons---a precursor to deconfined quantum criticality. To further elucidate the picture of a fragile $(\pi,0)$-magnon in the Heisenberg model and its depletion in the $J$-$Q$ model, we introduce an effective model in which a magnon can split into two spinons that do not separate but fluctuate in and out of the magnon space (in analogy with the resonance between a photon and a particle-hole pair in the exciton-polariton problem). The model reproduces the $(\pi,0)$ and $(\pi/2,\pi/2)$ features of the Heisenberg model. It can also account for the rapid loss of the $(\pi,0)$ magnon with increasing $Q$ and a remarkable persistence of a large magnon pole at $q=(\pi/2,\pi/2)$ even at the deconfined critical point., Comment: 25 pages, 24 figures, some additional discussion in version 3, to be appeared in PRX

Quantum Monte Carlo simulations offer an unbiased means to study the static and dynamic properties of quantum critical systems, while quantum field theory provides direct analytical results. We study three-dimensional, critical quantum antiferromagnets by performing a combined analysis using both quantum field theory calculations and quantum Monte Carlo data. Explicitly, we analyze the order parameter (staggered magnetization), N\'eel temperature, quasiparticle gaps, and the susceptibilities in the scalar and vector channels. We connect the two approaches by deriving descriptions of the quantum Monte Carlo observables in terms of the quasiparticle excitations of the field theory. The remarkable agreement not only unifies the description of the static and dynamic properties of the system but also constitutes a thorough test of perturbative O(3) quantum field theory and opens new avenues for the analytical guidance of detailed numerical studies.

The behavior of electrons near quantum critical points, such as magnetic phase transitions at temperatures approaching absolute zero, are of vital interest but are extremely challenging to understand. New computer simulations solve this problem, exactly, for one example of these strange metals and reveal a new type of quantum critical point.

High-temperature superconductivity is closely adjacent to a long-range antiferromagnet, which is called a parent compound. In cuprates, all parent compounds are alike and carrier doping leads to superconductivity, so a unified phase diagram can be drawn. However, the properties of parent compounds for iron-based superconductors show significant diversity and both carrier and isovalent dopings can cause superconductivity, which casts doubt on the idea that there exists a unified phase diagram for them. Here we show that the ordered moments in a variety of iron pnictides are inversely proportional to the effective Curie constants of their nematic susceptibility. This unexpected scaling behavior suggests that the magnetic ground states of iron pnictides can be achieved by tuning the strength of nematic fluctuations. Therefore, a unified phase diagram can be established where superconductivity emerges from a hypothetical parent compound with a large ordered moment but weak nematic fluctuations, which suggests that iron-based superconductors are strongly correlated electron systems., Comment: 5 pages, 2 figures

Interaction-driven topological phase transitions in Dirac semimetals are investigated by means of large-scale quantum Monte Carlo (QMC) simulations. The interaction among Dirac fermions is introduced by coupling them to Ising spins that realize the quantum dynamics of the two-dimensional transverse field Ising model. The ground state phase diagram, in which the tuning parameters are the transverse field and the coupling between fermion and Ising spins, is determined. At weak and intermediate coupling, a second-order Ising quantum phase transition and a first-order topological phase transition between two topologically distinct Dirac semimetals are observed. Interestingly, at the latter, the Dirac points smear out to form nodal lines in the Brillouin zone, and collective bosonic fluctuations with SO(4) symmetry are strongly enhanced. At strong coupling, these two phase boundaries merge into a first-order transition., Comment: 5 pages, 6 figures

We report a new kagome quantum spin liquid candidate Cu$_3$Zn(OH)$_6$FBr, which does not experience any phase transition down to 50 mK, more than three orders lower than the antiferromagnetic Curie-Weiss temperature ($\sim$ 200 K). A clear gap opening at low temperature is observed in the uniform spin susceptibility obtained from $^{19}$F nuclear magnetic resonance measurements. We observe the characteristic magnetic field dependence of the gap as expected for fractionalized spin-1/2 spinon excitations. Our experimental results provide firm evidence for spin fractionalization in a topologically ordered spin system, resembling charge fractionalization in the fractional quantum Hall state., 5 pages and 3 figures. Supplementary Materials file is in the source file and also can be found in CPL published online version

Monte Carlo simulation is an unbiased numerical tool for studying classical and quantum many-body systems. One of its bottlenecks is the lack of general and efficient update algorithm for large size systems close to phase transition or with strong frustrations, for which local updates perform badly. In this work, we propose a new general-purpose Monte Carlo method, dubbed self-learning Monte Carlo (SLMC), in which an efficient update algorithm is first learned from the training data generated in trial simulations and then used to speed up the actual simulation. We demonstrate the efficiency of SLMC in a spin model at the phase transition point, achieving a 10-20 times speedup., add more refs and correct some typos

We study the quantum spin dynamics of a frustrated XXZ model on a pyrochlore lattice by using large-scale quantum Monte Carlo simulation and stochastic analytic continuation. In the low-temperature quantum spin ice regime, we observe signatures of coherent photon and spinon excitations in the dynamic spin structure factor. As the temperature rises to the classical spin ice regime, the photon disappears from the dynamic spin structure factor, whereas the dynamics of the spinon remain coherent in a broad temperature window. Our results provide experimentally relevant, quantitative information for the ongoing pursuit of quantum spin ice materials., Comment: 10 pages, 5 figures

Recently significant progress has been made in $(2+1)$-dimensional conformal field theories without supersymmetry. In particular, it was realized that different Lagrangians may be related by hidden dualities, i.e., seemingly different field theories may actually be identical in the infrared limit. Among all the proposed dualities, one has attracted particular interest in the field of strongly-correlated quantum-matter systems: the one relating the easy-plane noncompact CP$^1$ model (NCCP$^1$) and noncompact quantum electrodynamics (QED) with two flavors ($N = 2$) of massless two-component Dirac fermions. The easy-plane NCCP$^1$ model is the field theory of the putative deconfined quantum-critical point separating a planar (XY) antiferromagnet and a dimerized (valence-bond solid) ground state, while $N=2$ noncompact QED is the theory for the transition between a bosonic symmetry-protected topological phase and a trivial Mott insulator. In this work we present strong numerical support for the proposed duality. We realize the $N=2$ noncompact QED at a critical point of an interacting fermion model on the bilayer honeycomb lattice and study it using determinant quantum Monte Carlo (QMC) simulations. Using stochastic series expansion QMC, we study a planar version of the $S=1/2$ $J$-$Q$ spin Hamiltonian (a quantum XY-model with additional multi-spin couplings) and show that it hosts a continuous transition between the XY magnet and the valence-bond solid. The duality between the two systems, following from a mapping of their phase diagrams extending from their respective critical points, is supported by the good agreement between the critical exponents according to the proposed duality relationships., Comment: 14 pages, 9 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

The origin of nematic order remains one of the major debates in iron-based superconductors. In theories based on spin nematicity, one major prediction is that the spin-spin correlation length at (0,π) should decrease with decreasing temperature below the structural transition temperature T_{s}. Here, we report inelastic neutron scattering studies on the low-energy spin fluctuations in BaFe_{1.935}Ni_{0.065}As_{2} under uniaxial pressure. Both intensity and spin-spin correlation start to show anisotropic behavior at high temperature, while the reduction of the spin-spin correlation length at (0,π) happens just below T_{s}, suggesting the strong effect of nematic order on low-energy spin fluctuations. Our results favor the idea that treats the spin degree of freedom as the driving force of the electronic nematic order.