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We present large-scale quantum Monte Carlo simulation results on a realistic Hamiltonian of kagome-lattice Rydberg atom arrays. Although the system has no intrinsic disorder, intriguingly, our analyses of static and dynamic properties on large system sizes reveal \textit{emergent} glassy behavior in a region of parameter space located between two valence bond solid phases. The extent of this glassy region is demarcated using the Edwards-Anderson order parameter, and its phase transitions to the two proximate valence bond solids -- as well as the crossover towards a trivial paramagnetic phase -- are identified. We demonstrate the intrinsically slow (imaginary) time dynamics deep inside the glassy phase and discuss experimental considerations for detecting such a quantum disordered phase with numerous nearly degenerate local minima. Our proposal paves a new route to the study of real-time glassy phenomena and highlights the potential for quantum simulation of a distinct phase of quantum matter beyond solids and liquids in current-generation Rydberg platforms., 7+4 pages, 4+5 figures

While the ground state phase diagram of the correlated flat-band systems have been intensively investigated, the dynamic and thermodynamic properties of such lattice models are less explored, but it is the latter which is most relevant to the experimental probes (transport, quantum capacitance and spectroscopy) of the quantum moir\'e materials such as twisted bilayer graphene and transition metal dichalcogenides. Here we show, by means of momentum-space quantum Monte Carlo and exact diagonalization, there exists a unique thermodynamic characteristic for the correlated flat-band models with interaction-driven quantum anomalous Hall (QAH) ground state, namely, the transition from the QAH insulator to the metallic state takes place at a much lower temperature compared with the zero-temperature single-particle gap generated by the long-range Coulomb interaction. Such low transition temperature comes from the proliferation of excitonic particle-hole excitations, which "quantum teleport" the electrons across the gap between different topological bands to restore the broken time-reversal symmetry and give rise to a pronounced enhancement in the charge compressibility. Future experiments, to verify such generic thermodynamic characteristics, are proposed., Comment: 5 pages, 3 figures with supplemental material

Although evidence of inter-valley attraction-mediated by phonon or topological fluctuations is accumulating, the origin of superconductivity in the flat-band quantum moir\'e materials remains an open question. Here, instead of attempting to pinpoint the origin of the superconductivity, we aim at identifying universal properties of moir\'e flat bands that shall emerge in the presence of inter-valley attractions. We show that by matching the interaction strength of inter-valley attraction with intra-valley repulsion, the flat-band limit becomes exactly solvable. Away from the flat-band limit, the system can be simulated via quantum Monte Carlo (QMC) methods without sign problem for any fillings. Combining analytic solutions with large-scale numerical simulations, we show that upon increasing temperature, the superconducting phase melts into a bosonic fluid of Cooper pairs with large/diverging compressibility. In contrast to flat-band attractive Hubbard models, where similar effects arise only for on-site interactions, our study indicates this physics is a universal property of moir\'e flat bands, regardless of microscopic details such as the range of interactions and/or spin-oribt couplings. At higher temperature, the boson fluid phase gives its way to a pseudo gap phase, where some Cooper pairs are torn apart by thermal fluctuations, resulting in fermion density of states inside the gap. Unlike the superconducting transition temperature, which is very sensitive to doping and twisting angles, the gap and the temperature scale of the boson fluid phase and the pseudo gap phase are found to be nearly independent of doping level and/or flat-band bandwidth. The relevance of these phases with experimental discoveries in the flat band quantum moir\'e materials is discussed.

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 employ strange correlators to detect 2D subsystem symmetry-protected topological (SSPT) phases which are nontrivial topological phases protected by subsystem symmetries. Specifically, we analytically construct efficient strange correlators in the 2D cluster model in the presence of a uniform magnetic field and then perform the projector Quantum Monte Carlo simulation within the quantum annealing scheme. We find that strange correlators show the long-range correlation in the SSPT phase, from which we define strange order parameters to characterize the topological phase transition between the SSPT phase at low fields and the trivial paramagnetic phase at high fields. Thus, the detection of the fully localized zero modes on the 1D physical boundary of SSPT phase has been transformed into the bulk correlation measurement about the local operators with the periodic boundary condition. We also find interesting spatial anisotropy of a strange correlator, which can be intrinsically traced back to the nature of spatial anisotropy of subsystem symmetries that protect SSPT order in the 2D cluster model. By simulating strange correlators, we, therefore, provide the first unbiased large-scale quantum Monte Carlo simulation on the easy and efficient detection in the SSPT phase and open the avenue of the investigation of the subtle yet fundamental nature of the novel interacting topological phases., 16 pages, 14 figures

The quantum dimer and loop models attract great attentions, partially because the fundamental importance in the phases and phase transitions emerging in these prototypical constrained systems, and partially due to their intimate relevance toward the on-going experiments on Rydberg atom arrays in which the blockade mechanism naturally enforces the local constraint. Here we show, by means of the sweeping cluster quantum Monte Carlo method, the complete ground state phase diagram of the fully packed quantum loop model on the square lattice. We find between the lattice nematic (LN) phase with strong dimer attraction and the staggered phase (SP) with strong dimer repulsion, there emerges a resonating plaquette (RP) phase with off-diagonal translational symmetry breaking. Such a quantum phase is separated from the LN via a first order transition and from the SP by the famous Rokhsar-Kivelson point. Our renormalization group analysis reveals the different flow directions, fully consistent with the order parameter histogram in Monte Carlo simulations. The realization and implication of our phase diagram in Rydberg experiments are proposed., 8 pages, 7 figures

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

Topological Mott insulator (TMI) with spontaneous time-reversal symmetry breaking and nonzero Chern number has been discovered in a real-space effective model for twisted bilayer graphene (TBG) at 3/4 filling in the strong coupling limit. However, the finite temperature properties of such a TMI state remain illusive. In this work, employing the state-of-the-art thermal tensor network and the perturbative field-theoretical approaches, we obtain the finite-$T$ phase diagram and the dynamical properties of the TBG model. The phase diagram includes the quantum anomalous Hall and charge density wave phases at low $T$, and a Ising transition separating them from the high-$T$ symmetric phases. Due to the proliferation of excitons -- particle-hole bound states -- the transitions take place at a significantly reduced temperature than the mean-field estimation. The exciton phase is accompanied with distinctive experimental signatures in such as charge compressibilities and optical conductivities close to the transition. Our work explains the smearing of the many-electron state topology by proliferating excitons and opens the avenue for controlled many-body investigations on finite-temperature states in the TBG and other quantum moir\'e systems., Comment: 5+15 pages, 4+12 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

We summarize the recent developments in the model design and computation for a few representative quantum many-body systems, encompassing quantum critical metals beyond the Hertz-Millis-Moriya framework with pseudogap and superconductivity, SYK non-Fermi-liquid with self-tuned quantum criticality and fluctuation induced superconductivity, and the flat-band quantum Moir\'e lattice models in continuum where the interplay of quantum geometry of flat-band wave function and the long-range Coulomb interactions gives rise to novel insulating phases at integer fillings and superconductivity away from them. Although the narrative choreography seems simple, we show how important the appropriate model design and their tailor-made algorithmic developments -- in other words, the scientific imagination inspired by the corresponding fast experimental developments in the aforementioned systems -- compel us to invent and discover new knowledge and insights in the sport and pastime of quantum many-body research., Comment: Invited review article on quantum many-body model design and computation. 29 pages + 27 figures. Comments and missing references are welcome

We propose a height-conserving quantum dimer model (hQDM) such that the lattice sum of its associated height field is conserved, and that it admits a Rokhsar-Kivelson (RK) point. The hQDM with minimal interaction range on the square lattice exhibits Hilbert space fragmentation and maps exactly to the XXZ spin model on the square lattice in certain Krylov subspaces. We obtain the ground-state phase diagram of hQDM via quantum Monte Carlo simulations, and demonstrate that a large portion of it is within the Krylov subspaces which admit the exact mapping to the XXZ model, with dimer ordered phases corresponding to easy-axis and easy-plane spin orders. At the RK point, the apparent dynamical exponents obtained from the single mode approximation and the height correlation function show drastically different behavior across the Krylov subspaces, exemplifying Hilbert space fragmentation and emergent glassy phenomena., Comment: 5+14 pages, 4+10 figures

We investigate nematic quantum phase transitions in two different Dirac fermion models. The models feature twofold and fourfold, respectively, lattice rotational symmetries that are spontaneously broken in the ordered phase. Using negative-sign-free quantum Monte Carlo simulations and an $\epsilon$-expansion renormalization group analysis, we show that both models exhibit continuous phase transitions. In contrast to generic Gross-Neveu dynamical mass generation, the quantum critical regime is characterized by large velocity anisotropies, with fixed-point values being approached very slowly. Hence both experimental and numerical investigations will not be representative of the infrared fixed point, but of a crossover regime characterized by drifting exponents., Comment: 35 pages, including a 29 page supplemental information section; added notion of quasiuniversality; updated acknowledgements

Employing the recently developed momentum-space quantum Monte Carlo scheme, we study the dynamic response of single-particle and collective excitations in realistic continuum models of twisted bilayer graphene. At charge neutrality, this unbiased numerical method reveals strong competition between different symmetry breaking channels with a leading instability towards the intervalley coherent state. Single-particle spectra indicate that repulsive interactions push the fermion spectral weight away from the Fermi energy and open up an insulating gap. The spectra of collective excitations suggest an approximate valley $SU(2)$ symmetry. At low-energy, long-lived valley waves are observed, which resemble spin waves of Heisenberg ferromagnetism. At high-energy, these sharp modes quickly become over-damped, when their energy reaches the fermion particle-hole continuum., 4 pages, 2 figures with supplemental material

We study disorder operator, defined as a symmetry transformation applied to a finite region, across a continuous quantum phase transition in $(2+1)d$. We show analytically that, at a conformally invariant critical point with U(1) symmetry, the disorder operator with a small U(1) rotation angle defined on a rectangle region exhibits power-law scaling with the perimeter of the rectangle. The exponent is proportional to the current central charge of the critical theory. Such a universal scaling behavior is due to the sharp corners of the region and we further obtain a general formula for the exponent when the corner is nearly smooth. To probe the full parameter regime, we carry out systematic computation of the U(1) disorder parameter in the square lattice Bose-Hubbard model across the superfluid-insulator transition with large-scale quantum Monte Carlo simulations, and confirm the presence of the universal corner correction. The exponent of the corner term determined from numerical simulations agrees well with the analytical predictions.

We utilize both analytical and numerical methods to study the superconducting transition temperature T c near a fermionic quantum critical point (QCP) using a model constructed by Xu et al. [Phys. Rev. X 7, 031059 (2017)] as an example. In this model, the bosonic critical fluctuation plays the role of pairing glue for the Cooper pairs, and we use a Bardeen–Cooper–Schrieffer-type mean-field theory to estimate T c. We further argue that the T c computed from the BCS theory approximates a pseudogap temperature T PG, instead of the Berezinskii–Kosterlitz–Thouless transition temperature T KT, which is confirmed by our determinant quantum Monte Carlo simulation. Moreover, due to the fact that electron density of state starts to deplete at T PG, the critical scaling of the underlying QCP is also affected below T PG. Thus, when studying the critical behavior of fermionic QCPs, we need to monitor that the temperature is above T PG instead of T KT. This was often ignored in previous studies.

We develop a nonequilibrium increment method to compute the R\'enyi entanglement entropy and investigate its scaling behavior at the deconfined critical (DQC) point via large-scale quantum Monte Carlo simulations. To benchmark the method, we first show that at an conformally-invariant critical point of O(3) transition, the entanglement entropy exhibits universal scaling behavior of area law with logarithmic corner corrections and the obtained correction exponent represents the current central charge of the critical theory. Then we move on to the deconfined quantum critical point, where although we still observe similar scaling behavior but with a very different exponent. Namely, the corner correction exponent is found to be negative. Such a negative exponent is in sharp contrast with positivity condition of the R\'enyi entanglement entropy, which holds for unitary conformal field theories(CFT). Our results unambiguously reveal fundamental differences between DQC and quantum critical points(QCPs) described by unitary CFTs., Comment: published version

Strong spin-orbital-coupling magnetic systems with the honeycomb structure can provide bond-directional interactions which may result in Kitaev quantum spin liquids and exotic anyonic excitations. However, one of the key ingredients in real materials---disorders---has been much less studied in Kitaev systems. Here we synthesized a trigonal ${\mathrm{SrIr}}_{2}{\mathrm{O}}_{6\ensuremath{-}\ensuremath{\delta}}$ with $\ensuremath{\delta}\ensuremath{\approx}0.25$, which consists of two-dimensional honeycomb Ir planes with edge-sharing ${\mathrm{IrO}}_{6}$ octahedra. First-principles computation and experimental measurements suggest that the electronic system is gapped, and there should be no magnetic moment as the ${\mathrm{Ir}}^{5+}$ ion has no unpaired electrons. However, significant magnetism has been observed in the material, and it can be attributed to disorders that are most likely from oxygen vacancies. No magnetic order is found down to 0.05 K, and the low-temperature magnetic properties exhibit power-law behaviors in magnetic susceptibility and zero-field specific heat, and a single-parameter scaling of the specific heat under magnetic fields. These results provide strong evidence for the existence of the random singlet phase in ${\mathrm{SrIr}}_{2}{\mathrm{O}}_{6\ensuremath{-}\ensuremath{\delta}}$, which offers a different member to the family of spin-orbital entangled iridates and Kitaev materials.

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

As a typical quantum computing algorithm, quantum annealing is widely used in the optimization of glass-like problems to find the best solution. However, the optimization problems in constrained complex systems usually involve topological structures, and the performance of the quantum annealing algorithm is still largely unknown. Here, we take an Ising system as a typical example with local constraints accompanied by intrinsic topological properties that can be implemented on quantum computing platforms such as the D-wave machine, and study the effectiveness of the quantum annealing algorithm in its optimization and compare it with that of the thermal annealing. We find that although conventional quantum annealing is difficult for the optimization of constrained topological problems, a generalized algorithm --- the sweeping quantum annealing method --- can be designed and solve the problem with better efficiency than both conventional quantum and thermal annealing algorithms. The sweeping quantum annealing algorithm, therefore, opens up a promising avenue for quantum computing of constrained problems and can be readily employed on the optimizations in quantum material design, engineering, and even social sciences.

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

Based on the path integral formulation of the reduced density matrix, we develop a scheme to overcome the exponential growth of computational complexity in reliably extracting low-lying entanglement spectrum from quantum Monte Carlo simulations. We test the method on the Heisenberg spin ladder with long entangled boundary between two chains and the results support the Li and Haldane's conjecture on entanglement spectrum of topological phase. We then explain the conjecture via the wormhole effect in the path integral and show that it can be further generalized for systems beyond gapped topological phases. Our further simulation results on the bilayer antiferromagnetic Heisenberg model with 2D entangled boundary across the $(2+1)$D O(3) quantum phase transition clearly demonstrate the correctness of the wormhole picture. Finally, we state that since the wormhole effect amplifies the bulk energy gap by a factor of $\beta$, the relative strength of that with respect to the edge energy gap will determine the behavior of low-lying entanglement spectrum of the system., Comment: 9 pages, 5 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

We study scaling behavior of the disorder parameter, defined as the expectation value of a symmetry transformation applied to a finite region, at the deconfined quantum critical point in (2+1)$d$ in the $J$-$Q_3$ model via large-scale quantum Monte Carlo simulations. We show that the disorder parameter for U(1) spin rotation symmetry exhibits perimeter scaling with a logarithmic correction associated with sharp corners of the region, as generally expected for a conformally-invariant critical point. However, for large rotation angle the universal coefficient of the logarithmic corner correction becomes negative, which is not allowed in any unitary conformal field theory. We also extract the current central charge from the small rotation angle scaling, whose value is much smaller than that of the free theory., Comment: 20 pages, 11 figures; v2 improved measurement on disorder operator; v3 additional analysis on data fitting