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The frustrated magnet $\alpha$-RuCl3 is one of the prime candidates for realizing a Kitaev quantum spin liquid (QSL). However, the existence of a field-induced intermediate QSL phase in this material remains under debate. Here, we employ sign-free numerically exact quantum Monte Carlo simulations to investigate the Kitaev-Heisenberg (KH) model on the honeycomb lattice with $K=-2J$ under an applied magnetic field along the z-direction. Our findings reveal that the system undergoes a direct quantum phase transition from a zigzag magnetically ordered phase to a spin-polarized phase at zero temperature, which belongs to the 3D XY universality class. At finite temperatures, a Berezinskii-Kosterlitz-Thouless transition line separates the spin-polarized phase from a quasi-long-range ordered state, eventually terminating at the quantum critical point. Our results convincingly show that there is no intermediate QSL phase in the KH model with a z-direction magnetic field, which we believe will shed important light on understanding experimental observations in $\alpha$-RuCl3., Comment: 4.5 pages, 5 figures

Using entanglement entropy (EE) to probe the intrinsic physics of the novel phases and phase transitions in quantum many-body systems is an important but challenging topic in condensed matter physics. Thanks to our newly developed bipartite-reweight-annealing algorithm, we can systematically study EE behaviors near both first and second-order phase transition points of two-dimensional strongly correlated systems by scanning the EE across a large parameter region, which was super difficult previously due to the huge computation resources demanded. Interestingly, we find that the EE or its derivative diverges at the critical point, which essentially reveals the phase transition involving discrete or continuous symmetry breaking. What's more, we observe that the peak of the EE curve can detect first-order phase transitions at high symmetry breaking points, separating phases with lower symmetry broken. This behavior also applies to the symmetry-enhanced first-order phase transition in the two-dimensional chequerboard $J-Q$ model, where the emergent higher symmetry arises from the related deconfined criticality beyond the Landau-Ginzburg-Wilson paradigm. This work points to new phenomena and mechanisms that can help us better identify different phase transitions and the underlying symmetry breaking., Comment: 10 pages, 7 figures

We study the transition between N\'eel and columnar valence-bond solid ordering in two-dimensional $S=3/2$ square lattice quantum antiferromagnets with SO(3) symmetry. According to the deconfined criticality scenario, this transition can be direct and continuous like the well-studied $S=1/2$ case. To study the global phase diagram, we work with four multi-spin couplings with full rotational symmetry, that are free of the sign-problem of quantum Monte Carlo. Exploring the phase diagram with quantum Monte Carlo simulations, we find that the phase transition between N\'eel and valence-bond solid is strongly first-order in the parts of the phase diagram that we have accessed., Comment: 11 pages, 16 figures

We design a (2+1))-dimensional [(2+1)D] quantum spin model in which spin-1/2 ladders are coupled through antiferromagnetic Ising interactions. The model hosts a quantum phase transition in the (2+1)D $Z_2$ universality class from the Haldane phase to the antiferromagnetic Ising ordered phase. We focus on studying the surface properties of three different surface configurations when the Ising couplings are tuned. Different behaviors are found on different surfaces. We find ordinary and two different extraordinary surface critical behaviors (SCBs) at the bulk critical point. The ordinary SCBs belong to the surface universality class of the classical 3D Ising bulk transition. One extraordinary SCBs is induced by the topological properties of the Haldane phase. Another extraordinary SCBs at the bulk critical point is induced by an unconventional surface phase transition where the surface develops an Ising order before the bulk. This surface transition is realized by coupling a (1+1)-dimensional [(1+1)D] $SU(2)_1$ CFT boundary to a (2+1)D bulk with $Z_2$ symmetry. We find that the transition is neither a (1+1)D $Z_2$ transition, expected based on symmetry consideration, nor a Kosterlitz-Thouless-like transition, violating the previous theoretical prediction. This new surface phase transition and related extraordinary SCBs deserve further analytical and numerical exploration., Comment: 11 pages, 14 figures

We resolve the nature of the quantum phase transition between a N\'eel antiferromagnet and a valence-bond solid in two-dimensional spin-1/2 magnets. We study a class of $J$-$Q$ models, in which Heisenberg exchange $J$ competes with interactions $Q_n$ formed by products of $n$ singlet projectors on adjacent parallel lattice links. QMC simulations provide unambiguous evidence for first-order transitions, with the discontinuities increasing with $n$. For $n=2$ and $n=3$ models, the first-order signatures are very weak. On intermediate length scales, we extract well-defined scaling dimensions (critical exponents) that are common to the models with small $n$, indicating proximity to a quantum critical point. By combining two $Q$ terms, the transition can be tuned from weak to more strongly first-order. The two coexisting orders on the first-order line scale with a large exponent $\beta \approx 0.85$. This exponent and others are close to bounds for an SO($5$) symmetric CFT with a relevant SO($5$) singlet. We characterize the emergent SO($5$) symmetry by the scaling dimensions of its leading irrelevant perturbations. The large $\beta$ value and a large correlation length exponent, $\nu \approx 1.4$, partially explain why the transition remains near-critical even quite far away from the critical point and in many different models without fine-tuning. In addition, we find that few-spin lattice operators are dominated by the SO($5$) violating field (the traceless symmetric tensor), and interactions involving many spins are required to observe strong effects of the relevant SO($5$) singlet. The exponent that had previously been identified with the divergent correlation length when crossing between the two phases does not have a corresponding CFT operator. We explain this emergent pseudocritical scale by a mechanism relying on a dangerously irrelevant SO($5$) perturbation., Comment: 57 pages, 36 figures

Spin-Peierls transition occurs in a one-dimensional $S=1$ Heisenberg antiferromagnetic model with single-ion anisotropy, coupled to finite frequency bond phonons, in a magnetic field. Our results indicate that for the pure Heisenberg model, any Peierls transition is suppressed by quantum fluctuations of the phonon field. However, a novel magnetic field-induced Spin-Peierls phase is realized in the presence of strong single-ion anisotropy. Contrary to the standard Peierls state, the periodicity of bond strength modulation in this field-induced Spin-Peierls state is variable and depends on the strength of the applied field. The nature of the ground state in this new phase and the associated field-driven transitions to and out of this phase are explored using extensive numerical simulations. In particular, we explore the spin and bond correlations and the evolution of bond order modulation with varying magnetic field.

We study the scaling behavior of the R\'enyi entanglement entropy with smooth boundaries at the phase transition point of the two-dimensional $J-Q_3$ model. Using the recently developed scaling formula [Deng {\it et al.}, Phys. Rev. B {\textbf{108}, 125144 (2023)}], we find a subleading logarithmic term with a coefficient showing that the number of Goldstone modes is four, indicating the existence of the spontaneous symmetry breaking from an emergent $SO(5)$ to $O(4)$ in the thermodynamic limit, but restored in a finite size. This result shows that the believed deconfined quantum critical point of the $J-Q_{3}$ model is a weak first-order transition point. Our work provides a new way to distinguish a state with spontaneously broken continuous symmetry from a critical state. The method is particularly useful in identifying weak first-order phase transitions, which are hard to determine using conventional methods., Comment: 9 pages, 10 figures

We study a generalization of the well-known classical two-dimensional square lattice compass model of XY spins (sometimes referred to as the 90$^\circ$ compass model), which interpolates between the XY model and the compass model. Our model possesses the combined $C_4$ lattice and spin rotation symmetry of the compass model but is free of its fine-tuned subsystem symmetries. Using both field theoretic arguments and Monte Carlo simulations, we find that our model possesses a line of critical points with continuously varying exponents of the Ashkin-Teller type terminating at the four-state Potts point. Further, our Monte Carlo study uncovers that beyond the four-state Potts point, the line of phase transition is connected to the lattice-nematic Ising phase transition in the square lattice compass model through a region of first-order transitions., Comment: 13 pages, 15figures

In this paper, we employ the generalized Bloch theory to rediscover the generalized Brillouin zone theory and follow this way to obtain the Green's function of the non-Hermitian system. We focus on a classical chiral model and give the exact expression of the Green's function for a finite-size system and the formal expression of the Green's function suitable for infinite size. Based on these results, we further derive the correlation matrix and validate it numerically against direct calculations for a system of size 40. The numerical results show the accuracy of our exact expression and the high fidelity of our formal expression., Comment: 14 pages, 10 figures, pre-proof version

Using quantum Monte Carlo simulations and field-theory arguments, we study the fully frustrated (Villain) transverse-field Ising model on the square lattice. We consider a "primary" spin order parameter and a "secondary" dimer order parameter, which both lead to the same phase diagram but detect $Z_8$ and $Z_4$ symmetry, respectively. The spin order scales with conventional exponents, both in the finite temperature critical phase and at the $T = 0$ quantum critical point. The scaling of the dimer order requires more detailed investigations of the applicable low-energy theories; the height model at $T > 0$ and the $O(2)$ model in 2+1 dimensions at $T = 0$. Relating the order parameters to operators in these effective models, we predict the secondary critical exponents and confirm them numerically. The relationships between the primary and secondary order parameters have not been previously discussed in this context and provide insight more broadly for Ising models whose low-energy physics involves dimer degrees of freedom., Comment: 11 pages, 13 figures

In this paper, we derive corrections to the subleading logarithmic term of the entanglement entropy in systems with spontaneous broken continuous symmetry. Using quantum Monte Carlo simulations, we show that the improved scaling formula leads to much better estimations of the number of Goldstone modes in the two-dimensional square lattice spin-1/2 Heisenberg model and bilayer spin-1/2 Heisenberg model in systems of rather small sizes, compared with previous results. In addition, the universal geometry-dependent finite constant in the entanglement entropy scaling is also obtained in good agreement with the theoretical value., Comment: 10 pages, 7 figures

We carry out large-scale quantum Monte Carlo simulations of a candidate field theory for the onset of superconductivity in magic-angle twisted bilayer graphene. The correlated insulating state at charge neutrality spontaneously breaks U(1) Moir\'e valley symmetry. Owing to the topological nature of the bands, skyrmion defects of the order parameter carry charge $2e$ and condense upon doping. In our calculations we encode the U(1) symmetry by an internal degree of freedom such that it is not broken upon lattice regularization. Furthermore, the skyrmion carries the same charge. The nature of the doping-induced phase transitions depends on the strength of the easy-plane anisotropy that reduces the SU(2) valley symmetry to U(1) $\times \mathbb{Z}_2 $. For large anisotropy, we observe two distinct transitions separated by phase coexistence. While the insulator to superconducting transition is of mean-field character, the U(1) transition is consistent with three-dimensional XY criticality. Hence, the coupling between the gapless charge excitations of the superconducting phase and the XY order parameter is irrelevant. At small anisotropy, we observe a first-order transition characterized by phase separation., Comment: 6 pages, 5 figures, supplemental material

Using Quantum Monte Carlo simulations, we study spin-1/2 diagonal ladders coupled by ferromagnetic Heisenberg interactions. The model can also be viewed as usual ladders with ferromagnetic rung couplings coupled by antiferromagnetic diagonal couplings. We find that the model hosts a striped magnetic ordered phase and two topological nontrivial Haldane phases, separated by two quantum critical points. We show that the two quantum critical points are all in the three-dimensional O(3) universality class irrelevant to the topological properties of the Haldane phases. The properties of the surface formed by ladder ends in the two Haldane phases are studied. We find that the surface states are both gapless due to the symmetry-protected topological bulk states. We further demonstrate that extraordinary surface critical behaviors are realized at both critical points on such gapless surfaces without enhancing the surface coupling. Notably, the surface is not expected to be ordered in the three-dimensional classical O(3) critical point, suggesting that the topological properties of the Haldane phases are responsible for such surface critical behavior., Comment: 10 pages, 6 figures

We introduce a model of Dirac fermions in 2+1 dimensions with a semimetallic, a quantum spin-Hall insulating (QSHI), and an s-wave superconducting (SSC) phase. The phase diagram features a multicritical point at which all three phases meet as well as a QSHI-SSC deconfined critical point. The QSHI and SSC orders correspond to mutually anti-commuting mass terms of the Dirac Hamiltonian. Based on this algebraic property, SO(5) symmetric field theories have been put forward to describe both types of critical points. Using quantum Monte Carlo simulations, we directly study the operator that rotates between QSHI and SSC states. The results suggest that it commutes with the low-energy effective Hamiltonian at criticality but has a gap in the ordered phases. This implies an emergent SO(5) symmetry at both the multicritical and the deconfined critical points., Comment: 5 pages, 4 figures, supplemental material

Measurement-induced phase transition in the presence of competition between projective measurement and random unitary evolution has attracted increasing attention due to the rich phenomenology of entanglement structures. However, in open quantum systems with free fermions, a generalized measurement with conditional feedback can induce skin effect and render the system short-range entangled without any entanglement transition, meaning the system always remains in the ``area law'' entanglement phase. In this work, we demonstrate that the power-law long-range hopping does not alter the absence of entanglement transition brought on by the measurement-induced skin effect for systems with open boundary conditions. In addition, for the finite-size systems, we discover an algebraic scaling $S(L, L/4)\sim L^{3/2-p}$ when the power-law exponent $p$ of long-range hopping is relatively small. For systems with periodic boundary conditions, we find that the measurement-induced skin effect disappears and observe entanglement phase transitions among ``algebraic law'', ``logarithmic law'', and ``area law'' phases., Comment: 9+3 pages, 11+4 figures, improve Sec. IV and abstract, add figures and references

Using Quantum Monte Carlo simulations, we study the spin-1/2 Heisenberg model on a two-dimensional lattice formed by coupling diagonal ladders. The model hosts an antiferromagnetic N\'eel phase, a rung singlet product phase, and a topological none trivial Haldane phase, separated by two quantum phase transitions. We show that the two quantum critical points are all in the three-dimensional O(3) universality class. The properties of the two gapped phases, including the finite-size behavior of the string orders in the Haldane phase, are studied. We show that the surface formed by the ladders ends is gapless, while the surface exposed along the ladders is gapful, in the Haldane phase. Conversely, in the gapped rung singlet phase, the former surface is gapped, and the latter is gapless. We demonstrate that, although mechanisms of the two gapless modes are different, nonordinary surface critical behaviors are realized at both critical points on the gapless surfaces exposed by simply cutting bonds without fine-tuning the surface coupling required to reach a multicritical point in classical models. We also show that, on the gapped surfaces, the surface critical behaviors are in the ordinary class., Comment: 12 pages, 8 figures

The quantum spin Hall state can be understood in terms of spontaneous O(3) symmetry breaking. Topological skyrmion configurations of the O(3) order parameter vector carry a charge 2e, and as shown previously, when they condense, a superconducting state is generated. We show that this topological route to superconductivity survives easy-plane anisotropy. Upon reducing the O(3) symmetry to O(2)$\times$ Z$_2$, skyrmions give way to merons that carry a unit charge. On the basis of large-scale auxiliary field quantum Monte Carlo simulations, we show that at the particle-hole symmetric point, we can trigger a continuous and direct transition between the quantum spin Hall state and s-wave superconductor by condensing pairs of merons. This statement is valid in both strong and weak anisotropy limits. Our results can be interpreted in terms of an easy-plane deconfined quantum critical point. However, in contrast to the previous studies in quantum spin models, our realization of this quantum critical point conserves $U(1)$ charge, such that skyrmions are conserved.

Using Monte Carlo simulations and finite-size scaling analysis, we show that the $q$-state clock model with $q=6$ on the simple cubic lattice with open surfaces has a rich phase diagram; in particular, it has an extraordinary-log phase, besides the ordinary and extraordinary transitions at the bulk critical point. We prove numerically that the presence of the intermediate extraordinary-log phase is due to the emergence of an O(2) symmetry in the surface state before the surface enters the $Z_{q}$ symmetry-breaking region as the surface coupling is increased at the bulk critical point, while O(2) symmetry emerges for the bulk. The critical behaviors of the extraordinary-log transition, as well as the ordinary and the special transition separating the ordinary and the extraordinary-log transition are obtained., Comment: 12 pages, 8 figures

We study the surface behavior of the two-dimensional columnar dimerized quantum antiferromagnetic XXZ model with easy-plane anisotropy, with particular emphasis on the surface critical behaviors of the (2+1)-dimensional quantum critical points of the model that belong to the classical three-dimensional O(2) universality class, for both $S=1/2$ and $S=1$ spins using quantum Monte Carlo simulations. We find completely different surface behaviors on two different surfaces of geometrical settings: the dangling-ladder surface, which is exposed by cutting a row of weak bonds, and the dangling-chain surface, which is formed by cutting a row of strong bonds along the direction perpendicular to the strong bonds of a periodic system. Similar to the Heisenberg limit, we find an ordinary transition on the dangling-ladder surface for both $S=1$ and $S=1/2$ spin systems. However, the dangling-chain surface shows much richer surface behaviors than in the Heisenberg limit. For the $S=1/2$ easy-plane model, at the bulk critical point, we provide evidence supporting an extraordinary surface transition with a long-range order established by effective long-range interactions due to bulk critical fluctuations. The possibility that the state is an extraordinary-log state seems unlikely. For the $S=1$ system, we find surface behaviors similar to that of the three-dimensional classical XY model with sufficiently enhanced surface coupling, suggesting an extraordinary-log state at the bulk critical point., Comment: 13 pages, 9 figures

Thermodynamic and dynamical properties of a model of Dirac fermions with a deconfined quantum critical point (DQCP) separating an interaction-generated quantum spin-Hall insulator from an s-wave superconductor [Nature Comm.~{\bf 10}, 2658 (2019)] are studied by quantum Monte Carlo simulations. Inside the deconfined quantum critical region bound by the single-particle gap, spinons and spinless charge-2e skyrmions emerge. Since the model conserves total spin and charge, and has a single length scale, these excitations lead to a characteristic linear temperature dependence of the uniform spin and charge susceptibilities. At the DQCP, the order parameter dynamic structure factors show remarkable similarities that support emergent Lorentz symmetry. Above a critical temperature, superconductivity is destroyed by the proliferation of spin-1/2 vortices., Comment: 8 pages and 8 figures

Continuous phase transitions exhibit richer critical phenomena on the surface than in the bulk, because distinct surface universality classes can be realized at the same bulk critical point by tuning the surface interactions. The exploration of surface critical behavior provides a window looking into higher-dimensional boundary conformal field theories. In this work, we study the surface critical behavior of a two-dimensional (2D) quantum critical Heisenberg model by tuning the surface coupling strength, and discover a direct special transition on the surface from the ordinary phase into an extraordinary phase. The extraordinary phase has a long-range antiferromagnetic order on the surface, in sharp contrast to the logarithmic decaying spin correlations in the 3D classical O(3) model. The special transition point has a new set of critical exponents, $y_{s}=0.86(4)$ and $\eta_{\parallel}=-0.33(1)$, which are distinct from the special transition of the classical O(3) model and indicate a new surface universality class of the 3D O(3) Wilson-Fisher theory., Comment: 16 pages, 10 figures

We consider fermions on a honeycomb lattice supplemented by a spin invariant interaction that dynamically generates a quantum spin Hall insulator. This lattice model provides an instance of Gross-Neveu Heisenberg criticality, as realized for example by the Hubbard model on the honeycomb lattice. Using auxiliary field quantum Monte Carlo simulations we show that we can compute with unprecedented precision susceptibilities of the order parameter. In O(N) Gross-Neveu transitions, the anomalous dimension of the bosonic mode grows as a function of N such that in the large-N limit it is of particular importance to consider susceptibilities rather than equal time correlations so as to minimize contributions from the background. For the N=3 case, we obtain $1/\nu=1.11(4)$, $\eta_{\phi}=0.80(9)$, and $\eta_{\psi}=0.29(2)$ for respectively the correlation length exponent, bosonic and fermionic anomalous dimensions., Comment: 11 pages,13 figures

The special surface transition at (2+1)-dimensional quantum critical point is precluded in corresponding classical critical point. The mechanism of such behavior which is only found in dimerized Heisenberg models so far is still under debate. To illuminate the role of symmetry protected topological (SPT) phase in inducing such nonordinary behaviors, we study a system on a two-dimensional square lattice consisted by interacting spin-1 Haldane chains, which has a genuine SPT phase--the Haldane phase--at weak interchain interactions and a quantum critical point belonging to the classical 3D O(3) universality class to the N\'eel phase. Different from models studied previously, there is no dimerization in the current model. Cutting the system along the chain direction or perpendicular to the chain direction exposes two different surfaces. Using unbiased quantum Monte Carlo simulations, we find that the two different types of surface show completely different surface critical behaviors at the bulk critical point, resulted from different surface states in the SPT phase. For the system with surfaces along the chain direction, the surface critical behavior is of ordinary type of the bulk 3D O(3) critical point, while for the surfaces perpendicular to the chain direction, the surface critical behavior is nonordinary, consistent with special transitions found in dimerized Heisenberg models. Our numerical results demonstrate that the gapless surface state in the gapped SPT phase together with the gapless mode of critical point is a pure quantum scenario that leads to the nonordinary transition., Comment: 11 pages, 7 figures

Sr$_2$CuTeO$_6$ is a square-lattice N\'eel antiferromagnet with superexchange between first-neighbor $S=1/2$ Cu spins mediated by plaquette centered Te ions. Substituting Te by W, the affected impurity plaquettes have predominantly second-neighbor interactions, thus causing local magnetic frustration. Here we report a study of Sr$_2$CuTe$_{1-x}$W$_x$O$_6$ using neutron diffraction and $\mu$SR techniques, showing that the N\'eel order vanishes already at $x = 0.025 \pm 0.005$. We explain this extreme order suppression using a two-dimensional Heisenberg spin model, demonstrating that a W-type impurity induces a deformation of the order parameter that decays with distance as $1/r^2$ at temperature $T=0$. The associated logarithmic singularity leads to loss of order for any $x>0$. Order for small $x>0$ and $T>0$ is induced by weak interplane couplings. In the nonmagnetic phase of Sr$_2$CuTe$_{1-x}$W$_x$O$_6$, the $\mu$SR relaxation rate exhibits quantum critical scaling with a large dynamic exponent, $z \approx 3$, consistent with a random-singlet state., Comment: 6 pages + 6 pages supplemental material

We use QMC simulations to study effects of disorder on the $S=1/2$ Heisenberg model with exchange constant $J$ on the square lattice supplemented by multispin interactions $Q$. It was found recently [L. Lu et al., Phys. Rev. X 8, 041040 (2018)] that the ground state of this $J$-$Q$ model with random couplings undergoes a quantum phase transition from the N\'eel state into a randomness-induced spin-liquid-like state that is a close analogue to the well known random-singlet (RS) state of the random Heisenberg chain. The 2D RS state arises from spinons localized at topological defects. The interacting spinons form a critical state with mean spin-spin correlations decaying with distance $r$ as $r^{-2}$, as in the 1D RS state. The dynamic exponent $z \ge 2$, varying continuously with the model parameters. We here further investigate the properties of the RS state in the $J$-$Q$ model with random $Q$ couplings. We study the temperature dependence of the specific heat and various susceptibilities for large enough systems to reach the thermodynamic limit and also analyze the size dependence of the critical magnetic order parameter and its susceptibility in the ground state. For all these quantities, we find consistency with conventional quantum-critical scaling when the condition implied by the $r^{-2}$ form of the spin correlations is imposed. All quantities can be explained by the same value of the dynamic exponent $z$ at fixed model parameters. We argue that the RS state identified in the $J$-$Q$ model corresponds to a generic renormalization group fixed point that can be reached in many quantum magnets with random couplings, and may already have been observed experimentally., Comment: 15 pages, 8 figures

A unique property of a dynamically generated quantum spin Hall state are Goldstone modes that correspond to the long-wavelength fluctuations of the spin-orbit coupling order parameter whose topological Skyrmion excitations carry charge 2$e$. Within the model considered here, upon varying the chemical potential, we observe two transitions: An s-wave superconducting order parameter develops at a critical chemical potential $\mu_{c1}$, corresponding to the excitation gap of pairs of fermions, and at $\mu_{c2}$ the SO(3) order parameter of the quantum spin Hall state vanishes. Using negative-sign-free, large-scale quantum Monte Carlo simulations, we show that $\mu_{c1}=\mu_{c2}$ within our accuracy -- we can resolve dopings away from half filling down to $\delta = 0.0017$. The length scale associated with the fluctuations of the quantum spin Hall order parameter grows down to our lowest doping, suggesting either a continuous or a weakly first-order transition. Contrary to mean-field expectations, the doping versus chemical potential curve is not linear, indicating a dynamical critical exponent $z > 2$ if the transition is continuous., Comment: 10 pages, 13 Figures

We study the ground state phase diagram of a nonlinear two-photon Rabi-Hubbard (RH) model in one dimension using quantum Monte Carlo (QMC) simulations and density matrix renormalization group (DMRG) calculations. Our model includes a nonlinear photon-photon interaction term. Absent this term, the RH model has only one phase, the normal disordered phase, and suffers from spectral collapse at larger values of the photon-qubit interaction or inter-cavity photon hopping. The photon-photon interaction, no matter how small, stabilizes the system which now exhibits {\it two} quantum phase transitions: Normal phase to {\it photon pair} superfluid (PSF) transition and PSF to single particle superfluid (SPSF). The discrete $Z_4$ symmetry of the Hamiltonian spontaneously breaks in two stages: First it breaks partially as the system enters the PSF and then completely breaks when the system finally enters the SPSF phase. We show detailed numerical results supporting this, and map out the ground state phase diagram., Comment: 9 pages, 11 figures

We study phase transitions of the Potts model on the centered-triangular lattice with two types of couplings, namely $K$ between neighboring triangular sites, and $J$ between the centered and the triangular sites. Results are obtained by means of a finite-size analysis based on numerical transfer matrix calculations and Monte Carlo simulations. Our investigation covers the whole $(K, J)$ phase diagram, but we find that most of the interesting physics applies to the antiferromagnetic case $K<0$, where the model is geometrically frustrated. In particular, we find that there are, for all finite $J$, two transitions when K is varied. Their critical properties are explored. In the limits $J\to \pm \infty$ we find algebraic phases with infinite-order transitions to the ferromagnetic phase.

We present a way to visualize and quantify renormalization group flows in a space of observables computed using Monte Carlo simulations. We apply the method to classical three-dimensional clock models, i.e., the planar (XY) spin model perturbed by a $Z_q$ symmetric anisotropy field. The method performs significantly better than standard techniques for determining the scaling dimension $y_q$ of the $Z_q$ field at the critical point if it is irrelevant ($q\ge4$). Furthermore, we analyze all stages of the complex renormalization flow, including the cross-over from the U(1) Nambu-Goldstone fixed point to the ultimate $Z_q$ symmetry-breaking fixed point due to the relevance of the $Z_q$ field inside the ordered phase. We expect our method to be particularly useful in the context of quantum-critical points with inherent dangerously irrelevant operators that cannot be tuned away microscopically but whose renormalization flows can be analyzed exactly as we do here for the clock models., Comment: 5 pages, 6 figures + 5 pages, 6 figures in supplemental material

We study the ground state phase diagrams of two-photon Dicke, the one-dimensional Jaynes-Cummings-Hubbard (JCH), and Rabi-Hubbard (RH) models using mean field, perturbation, quantum Monte Carlo (QMC), and density matrix renormalization group (DMRG) methods. We first compare mean field predictions for the phase diagram of the Dicke model with exact QMC results and find excellent agreement. The phase diagram of the JCH model is then shown to exhibit a single Mott insulator lobe with two excitons per site, a superfluid (SF, superradiant) phase and a large region of instability where the Hamiltonian becomes unbounded. Unlike the one-photon model, there are no higher Mott lobes. Also unlike the one-photon case, the SF phases above and below the Mott are surprisingly different: Below the Mott, the SF is that of photon {\it pairs} as opposed to above the Mott where it is SF of simple photons. The mean field phase diagram of the RH model predicts a transition from a normal to a superradiant phase but none is found with QMC., Comment: 14 pages, 14 figures

We have used the Stochastic Series Expansion quantum Monte Carlo method to study interacting hard-core bosons on the square lattice, with pair-hopping processes supplementing the standard single-particle hopping. Such pair hopping arises in effective models for frustrated quantum magnets. Our goal is to investigate the effects of the pair hopping process on the commonly observed superfluid, insulating (Mott), and super-solid ground-state phases in the standard hard-core boson model with various interaction terms. The model is specifically motivated by the observation of finite dispersion of 2-magnon bound states in neutron diffraction experiments SrCu$_2$(BO$_3$)$_2$. Our results show that the pair hopping has different effects on Mott phases at different filling fractions, "melting" them at different critical pair-hopping amplitudes. Thus, it appears that pair hopping may have an important role in determining which out of a potentially large number of Mott phases (stabilized by details of the charge-diagonal interaction terms) actually survive the totality of quantum fluctuations present., Comment: 8 pages, 7 figures

The discovery that spin-orbit coupling can generate a new state of matter in the form of quantum spin-Hall (QSH) insulators has brought topology to the forefront of condensed matter physics. While QSH states from spin-orbit coupling can be fully understood in terms of band theory, fascinating many-body effects are expected if the state instead results from interaction-generated symmetry breaking. In particular, topological defects of the corresponding order parameter provide a route to exotic quantum phase transitions. Here, we introduce a model in which the condensation of skyrmion defects in an interaction-generated QSH insulator produces a superconducting (SC) phase. Because vortex excitations of the latter carry a spin-$1/2$ degree of freedom numbers, the SC order may be understood as emerging from a gapless spin liquid normal state. The QSH-SC transition is an example of a deconfined quantum critical point (DQCP), for which we provide an improved model with only a single length scale that is accessible to large-scale quantum Monte Carlo simulations., Comment: 14 pages, 11 figures, 3 tables

We discuss the concept of typicality of quantum states at quantum-critical points, using projector Monte Carlo simulations of an $S=1/2$ bilayer Heisenberg antiferromagnet as an illustration. With the projection (imaginary) time $\tau$ scaled as $\tau =aL^z$, $L$ being the system length and $z$ the dynamic critical exponent (which takes the value $z=1$ in the bilayer model studied here), a critical point can be identified which asymptotically flows to the correct location and universality class with increasing $L$, independently of the prefactor $a$ and the initial state. Varying the proportionality factor $a$ and the initial state only changes the cross-over behavior into the asymptotic large-$L$ behavior. In some cases, choosing an optimal factor $a$ may also lead to the vanishing of the leading finite-size corrections. The observation of typicality can be used to speed up simulations of quantum criticality, not only within the Monte Carlo approach but also with other numerical methods where imaginary-time evolution is employed, e.g., tensor network states, as it is not necessary to evolve fully to the ground state but only for sufficiently long times to reach the typicality regime., Comment: 12 pages, 10 figures

We use inelastic neutron scattering to study acoustic phonons and spin excitations in single crystals of NaFeAs, a parent compound of iron pnictide superconductors. NaFeAs exhibits a tetragonal-to-orthorhombic structural transition at $T_s\approx 58$ K and a collinear antiferromagnetic (AF) order at $T_N\approx 45$ K. While longitudinal and out-of-plane transverse acoustic phonons behave as expected, the in-plane transverse acoustic phonons reveal considerable softening on cooling to $T_s$, and then harden on approaching $T_N$ before saturating below $T_N$. In addition, we find that spin-spin correlation lengths of low-energy magnetic excitations within the FeAs layer and along the $c$-axis increase dramatically below $T_s$, and show weak anomaly across $T_N$. These results suggest that the electronic nematic phase present in the paramagnetic tetragonal phase is closely associated with dynamic spin-lattice coupling, possibly arising from the one-phonon-two-magnon mechanism.

We study effects of disorder (randomness) in a 2D square-lattice $S=1/2$ quantum spin system, the $J$-$Q$ model with a 6-spin interaction $Q$ supplementing the Heisenberg exchange $J$. In the absence of disorder the system hosts antiferromagnetic (AFM) and columnar valence-bond-solid (VBS) ground states. The VBS breaks $Z_4$ symmetry, and in the presence of arbitrarily weak disorder it forms domains. Using QMC simulations, we demonstrate two kinds of such disordered VBS states. Upon dilution, a removed site leaves a localized spin in the opposite sublattice. These spins form AFM order. For random interactions, we find a different state, with no order but algebraically decaying mean correlations. We identify localized spinons at the nexus of domain walls between different VBS patterns. These spinons form correlated groups with the same number of spinons and antispinons. Within such a group, there is a strong tendency to singlet formation, because of spinon-spinon interactions mediated by the domain walls. Thus, no long-range AFM order forms. We propose that this state is a 2D analog of the well-known 1D random singlet (RS) state, though the dynamic exponent $z$ in 2D is finite. By studying the T-dependent magnetic susceptibility, we find that $z$ varies, from $z=2$ at the AFM--RS phase boundary and larger in the RS phase The RS state discovered here in a system without geometric frustration should correspond to the same fixed point as the RS state recently proposed for frustrated systems, and the ability to study it without Monte Carlo sign problems opens up opportunities for further detailed characterization of its static and dynamic properties. We also discuss experimental evidence of the RS phase in the quasi-two-dimensional square-lattice random-exchange quantum magnets Sr$_2$CuTe$_{1-x}$W$_x$O$_6$., Comment: 31 pages, 29 figures; substantial additions in v2; additional analysis in v3

We study the N\'eel-paramagnetic quantum phase transition in two-dimensional dimerized $S=1/2$ Heisenberg antiferromagnets using finite-size scaling of quantum Monte Carlo data. We resolve the long standing issue of the role of cubic interactions arising in the bond-operator representation when the dimer pattern lacks a certain symmetry. We find non-monotonic (monotonic) size dependence in the staggered (columnar) dimerized model, where cubic interactions are (are not) present. We conclude that there is an irrelevant field in the staggered model that is not present in the columnar case, but, at variance with previous claims, it is not the leading irrelevant field. The new exponent is $\omega_2 \approx 1.25$ and the prefactor of the correction $L^{-\omega_2}$ is large and comes with a different sign from that of the formally leading conventional correction with exponent $\omega_1 \approx 0.78$. Our study highlights the possibility of competing scaling corrections at quantum critical points., Comment: 6 pages, 6 figures

Surface critical behavior (SCB) refers to the singularities of physical quantities on the surface at the bulk phase transition. It is closely related to and even richer than the bulk critical behavior. In this work, we show that three types of SCB universality are realized in the dimerized Heisenberg models at the (2+1)-dimensional O(3) quantum critical points by engineering the surface configurations. The ordinary transition happens if the surface is gapped in the bulk disordered phase, while the gapless surface state generally leads to the multicritical special transition, even though the latter is precluded in classical phase transitions because the surface is in the lower critical dimension. An extraordinary transition is induced by the ferrimagnetic order on the surface of the staggered Heisenberg model, in which the surface critical exponents violate the results of the scaling theory and thus seriously challenge our current understanding of extraordinary transitions., Comment: v2: slightly revised, published version

We study a self-dual generalization of the Baxter-Wu model, employing results obtained by transfer matrix calculations of the magnetic scaling dimension and the free energy. While the pure critical Baxter-Wu model displays the critical behavior of the four-state Potts fixed point in two dimensions, in the sense that logarithmic corrections are absent, the introduction of different couplings in the up- and down triangles moves the model away from this fixed point, so that logarithmic corrections appear. Real couplings move the model into the first-order range, away from the behavior displayed by the nearest-neighbor, four-state Potts model. We also use complex couplings, which bring the model in the opposite direction characterized by the same type of logarithmic corrections as present in the four-state Potts model. Our finite-size analysis confirms in detail the existing renormalization theory describing the immediate vicinity of the four-state Potts fixed point., Comment: 19 pages, 7 figures

We report high-pressure magnetization and $^{35}$Cl NMR studies on $\alpha$-RuCl$_3$ with pressure up to 1.5~GPa. At low pressures, the magnetic ordering is identified by both the magnetization data and the NMR data, where the $T_N$ shows a concave shape dependence with pressure. These data suggest stacking rearrangement along the $c$-axis. With increasing pressure, phase separation appears prominently at $P\ge$~0.45~GPa, and the magnetic volume fraction is completely suppressed at $P\ge$~1.05~GPa. Meanwhile, a phase-transition-like behavior emerges at high pressures in the remaining volume by a sharp drop of magnetization $M(T)$ upon cooling, with the transition temperature $T_x$ increased to ~250~K at 1~GPa. The $1/^{35}T_1$ is reduced by over three orders of magnitude when cooled below 100~K. This characterizes a high-pressure, low-temperature phase with nearly absent static susceptibility and low-energy spin fluctuations. The nature of the high-pressure ground state is discussed, where a magnetically disordered state is proposed as a candidate state., Comment: 8 pages, 12 figures, to appear in Physical Review B

We investigate the two-dimensional $q=3$ and 4 Potts models with a variable interaction range by means of Monte Carlo simulations. We locate the phase transitions for several interaction ranges as expressed by the number $z$ of equivalent neighbors. For not too large $z$, the transitions fit well in the universality classes of the short-range Potts models. However, at longer ranges the transitions become discontinuous. For $q=3$ we locate a tricritical point separating the continuous and discontinuous transitions near $z=80$, and a critical fixed point between $z=8$ and 12. For $q=4$ the transition becomes discontinuous for $z > 16$. The scaling behavior of the $q=4$ model with $z=16$ approximates that of the $q=4$ merged critical-tricritical fixed point predicted by the renormalization scenario., Comment: 9 figures

The theory of deconfined quantum critical points describes phase transitions at temperature T = 0 outside the standard paradigm, predicting continuous transformations between certain ordered states where conventional theory requires discontinuities. Numerous computer simulations have offered no proof of such transitions, however, instead finding deviations from expected scaling relations that were neither predicted by the DQC theory nor conform to standard scenarios. Here we show that this enigma can be resolved by introducing a critical scaling form with two divergent length scales. Simulations of a quantum magnet with antiferromagnetic and dimerized ground states confirm the form, proving a continuous transition with deconfined excitations and also explaining anomalous scaling at T > 0. Our findings revise prevailing paradigms for quantum criticality, with potentially far-reaching implications for many strongly-correlated materials., Comment: 13 pages + supplementary material, very minor changes in v2

We investigate the O($n$) nonintersecting loop model on the square lattice under the constraint that the loops consist of ninety-degree bends only. The model is governed by the loop weight $n$, a weight $x$ for each vertex of the lattice visited once by a loop, and a weight $z$ for each vertex visited twice by a loop. We explore the $(x,z)$ phase diagram for some values of $n$. For $01$, the O($n$)-like transition line appears to be absent. Thus, for $z=0$, the $(n,x)$ phase diagram displays a line of phase transitions for $n\le 1$. The line ends at $n=1$ in an infinite-order transition. We determine the conformal anomaly and the critical exponents along this line. These results agree accurately with a recent proposal for the universal classification of this type of model, at least in most of the range $-1 \leq n \leq 1$. We also determine the exponent describing crossover to the generic O($n$) universality class, by introducing topological defects associated with the introduction of `straight' vertices violating the ninety-degree-bend rule. These results are obtained by means of transfer-matrix calculations and finite-size scaling., Comment: 19 pages, 11 figures

We study the mechanism of decay of a topological (winding-number) excitation due to finite-size effects in a two-dimensional valence-bond solid state, realized in an $S=1/2$ spin model ($J$-$Q$ model) and studied using projector Monte Carlo simulations in the valence bond basis. A topological excitation with winding number $|W|>0$ contains domain walls, which are unstable due to the emergence of long valence bonds in the wave function, unlike in effective descriptions with the quantum dimer model. We find that the life time of the winding number in imaginary time diverges as a power of the system length $L$. The energy can be computed within this time (i.e., it converges toward a "quasi-eigenvalue" before the winding number decays) and agrees for large $L$ with the domain-wall energy computed in an open lattice with boundary modifications enforcing a domain wall. Constructing a simplified two-state model and using the imaginary-time behavior from the simulations as input, we find that the real-time decay rate out of the initial winding sector is exponentially small in $L$. Thus, the winding number rapidly becomes a well-defined conserved quantum number for large systems, supporting the conclusions reached by computing the energy quasi-eigenvalues. Including Heisenberg exchange interactions which brings the system to a quantum-critical point separating the valence-bond solid from an antiferromagnetic ground state (the putative "deconfined" quantum-critical point), we can also converge the domain wall energy here and find that it decays as a power-law of the system size. Thus, the winding number is an emergent quantum number also at the critical point, with all winding number sectors becoming degenerate in the thermodynamic limit. This supports the description of the critical point in terms of a U(1) gauge-field theory., Comment: 10 pages, 9 figures

We present a projector quantum Monte Carlo study of the topological properties of the valence-bond-solid ground state in the $J$-$Q_3$ spin model on the square lattice. The winding number is a topological number counting the number of domain walls in the system and is a good quantum number in the thermodynamic limit. We study the finite-size behaviour and obtain the domain wall energy density for a topological nontrivial valence-bond-solid state., Comment: 6 pages, 5 figures, submitted to the proceedings of CCP2014

We explore the physical properties of the completely packed O($n$) loop model on the square lattice, and its generalization to an Eulerian graph model, which follows by including cubic vertices which connect the four incoming loop segments. This model includes crossing bonds as well. Our study of the properties of this model involve transfer-matrix calculations and finite-size scaling. The numerical results are compared to existing exact solutions, including solutions of special cases of a so-called coloring model, which are shown to be equivalent with our generalized loop model. The latter exact solutions correspond with seven one-dimensional branches in the parameter space of our generalized loop model. One of these branches, describing the case of nonintersecting loops, is already known to correspond with the ordering transition of the Potts model. We find that another exactly solved branch, which describes a model with nonintersecting loops and cubic vertices, corresponds with a first-order Ising-like phase transition for $n>2$. For $12$ this branch is the locus of a first-order phase boundary between a phase with a hard-square lattice-gas like ordering, and a phase dominated by cubic vertices. The first-order character of this transition is in agreement with a mean-field argument.

Using Monte Carlo simulations and finite-size scaling, we study three-state Potts antiferromagnet on layered square lattice with two and four layers $L_z=2$ and $4$. As temperature decreases, the system develops quasi-long-range order via a Berezinskii-Kosterlitz-Thouless transition at finite temperature $T_{c1}$. For $L_z=4$, as temperature is further lowered, a long-range order breaking the $Z_6$ symmetry develops at a second transition at $T_{c2} < T_{c1}$. The transition at $T_{c2}$ is also Berezinskii-Kosterlitz-Thouless-like, but has magnetic critical exponent $\eta=1/9$ instead of the conventional value $\eta = 1/4$. The emergent $U(1)$ symmetry is clearly demonstrated in the quasi-long-range ordered region $T_{c2} \leq T \leq T_{c1}$., Comment: 6 pages, 10 figs, accepted by Phys. Rev. B

The $n$-index R\'enyi mutual information and transfer entropy for the two-dimensional kinetic Ising model with arbitrary single-spin dynamics in the thermodynamic limit are derived as functions of thermodynamic quantities. By means of Monte Carlo simulations with the Wolff algorithm, we calculate the information flows in the Ising model with the Metropolis dynamics and the Glauber dynamics. We find that, not only the global R\'enyi transfer entropy, but also the pairwise R\'enyi transfer entropy peaks in the disorder phase. Therefore, the R\'enyi information flows may be used as better tools than the Shannon counterparts in the study of phase transitions in complex dynamical systems., Comment: 7 pages, 10 figures

We consider (a) the partition functions of the anisotropic dimer model on the rectangular (2M-1) x (2N-1) lattice with free and cylindrical boundary conditions with a single monomer residing on the boundary and (b) the partition function of the anisotropic spanning tree on an M x N rectangular lattice with free boundary conditions. We express (a) and (b) in terms of a principal partition function with twisted boundary conditions. Based on these expressions, we derive the exact asymptotic expansions of the free energy for both cases (a) and (b). We confirm the conformal field theory prediction for the corner free energy of these models, and find the central charge is c = - 2. We also show that the dimer model on the cylinder with an odd number of sites on the perimeter exhibits the same finite-size corrections as on the plane., Comment: 14 pages