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We study the transition between Néel 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 Néel and valence-bond solid is strongly first-order in the parts of the phase diagram that we have accessed.

We introduce a simple lattice spin model that is written in terms of the well-known four-dimensional $\gamma$-matrix representation of the Clifford algebra. The local spins with a four-dimensional Hilbert space transform in a spinorial $(1/2,0) \oplus (0,1/2)$ representation of $SO(4)$, a symmetry of our model. When studied on a chain, and as a function of a transverse field tuning parameter, our model undergoes a quantum phase transition from a valence bond solid phase to a critical phase that is described by an $SU(2)_1$ WZW field theory.

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.

Inspired by experiments on magic angle twisted bilayer graphene, we present a lattice mean-field model for the quantum anomalous Hall effect in a moiré setting. Our hopping model thus provides a simple route to a moiré Chern insulator in commensurately twisted models. We present a study of our model in the ribbon geometry, in which we demonstrate the presence of thick chiral edge states that have a transverse localization that scales with the moiré lattice spacing. We also study the electronic structure of a domain wall between opposite Chern insulators. Our model and results are relevant to experiments that will image or manipulate the moiré quantum anomalous Hall edge states.

Monolayer graphene at charge neutrality in a quantizing magnetic field is a quantum Hall ferromagnet. Due to the spin and valley (near) degeneracies, there is a plethora of possible ground states. Previous theoretical work, based on a stringent ultra short-range assumption on the symmetry-allowed interactions, predicts a phase diagram with distinct regions of spin-polarized, canted antiferromagnetic, inter-valley coherent, and charge density wave order. While early experiments suggested that the system was in the canted antiferromagnetic phase at a perpendicular field, recent scanning tunneling studies universally find Kekulé bond order, and sometimes also charge density wave order. Recently, it was found that if one relaxes the stringent assumption mentioned above, a phase with coexisting canted antiferromagnetic and Kekulé order exists in the region of the phase diagram believed to correspond to real samples. In this work, starting from the continuum limit appropriate for experiments, we present the complete phase diagram of $\nu=0$ graphene in the Hartree-Fock approximation, using generic symmetry-allowed interactions, assuming translation invariant ground states up to an intervalley coherence. Allowing for a sublattice potential (valley Zeeman coupling), we find numerous phases with different types of coexisting order. We conclude with a discussion of the physical signatures of the various states.

We study the edge spectrum of twisted sheets of single layer and bilayer graphene in cases where the continuum model predicts a valley Chern insulator -- an insulating state in which the occupied moiré mini-bands from each valley have a net Chern number, but both valleys together have no net Chern number, as required by time reversal symmetry. In a simple picture, such a state might be expected to have chiral valley polarized counter-propagating edge states. We present results from exact diagonalization of the tight-binding model of commensurate structures in the ribbon geometry. We find that for both the single-layer and bilayer moiré ribbons robust edge modes are generically absent. We attribute this lack of edge modes to the fact that the edge induces valley mixing. Further, even in the bulk, a sharp distinction between the valley Chern insulator and a trivial insulator requires an exact $C_3$ symmetry.

Motivated by experimental studies of graphene in the quantum Hall regime, we revisit the phase diagram of a single sheet of graphene at charge neutrality. Because of spin and valley degeneracies, interactions play a crucial role in determining the nature of ground state. We show that, generically, in the regime of interest there is a region of coexistence between magnetic and bond orders in the phase diagram. We demonstrate this result both in continuum and lattice models, and argue that the coexistence phase naturally provides an explanation for unreconciled experimental observations on the quantum Hall effect in graphene.

We study a quantum phase transition from a massless to massive Dirac fermion phase in a new two-dimensional bipartite lattice model of electrons that is amenable to sign-free quantum Monte Carlo simulations. Importantly, interactions in our model are not only invariant under $\SU(2)$ symmetries of spin and charge like the Hubbard model, but they also preserve an Ising like electron spin-charge flip symmetry. From unbiased fermion bag Monte Carlo simulations with up to 2304 sites, we show that the massive fermion phase spontaneously breaks this Ising symmetry, picking either anti-ferromagnetism or superconductivity and that the transition at which both orders are simultaneously quantum critical, belongs to a new "chiral spin-charge symmetric" universality class. We explain our observations using effective potential and renormalization group calculations within the framework of a continuum field theory.

We propose a device in which a sheet of graphene is coupled to a Weyl semimetal, allowing for the physical access to the study of tunneling from two-dimensional to three dimensional massless Dirac fermions. Due to the reconstructed band structure, we find that this device acts as a robust valley filter for electrons in the graphene sheet. We show that, by appropriate alignment, the Weyl semimetal draws away current in one of the two graphene valleys while allowing current in the other to pass unimpeded. In contrast to other proposed valley filters, the mechanism of our proposed device occurs in the bulk of the graphene sheet, obviating the need for carefully shaped edges or dimensions.

We introduce a half-filled Hamiltonian of spin-half lattice fermions that can be studied with the efficient meron-cluster algorithm in any dimension. As with the usual bipartite half-filled Hubbard models, the naïve $U(2)$ symmetry is enhanced to $SO(4)$. On the other hand our model has a novel spin-charge flip ${\mathbb Z}^C_2$ symmetry which is an important ingredient of free massless fermions. In this work we focus on one spatial dimension, and show that our model can be viewed as a lattice-regularized two-flavor chiral-mass Gross-Neveu model. Our model remains solvable in the presence of the Hubbard coupling $U$, which maps to a combination of Gross-Neveu and Thirring couplings in one dimension. Using the meron-cluster algorithm we find that the ground state of our model is a valence bond solid when $U=0$. From our field theory analysis, we argue that the valence bond solid forms inevitably because of an interesting frustration between spin and charge sectors in the renormalization group flow enforced by the ${\mathbb Z}^C_2$ symmetry. This state spontaneously breaks translation symmetry by one lattice unit, which can be identified with a $\mathbb{Z}_2^\chi$ chiral symmetry in the continuum. We show that increasing $U$ induces a quantum phase transition to a critical phase described by the $SU(2)_1$ Wess-Zumino-Witten theory. The quantum critical point between these two phases is known to exhibit a novel symmetry enhancement between spin and dimer. Here we verify the scaling relations of these correlation functions near the critical point numerically. Our study opens up the exciting possibility of numerical access to similar novel phase transitions in higher dimensions in fermionic lattice models using the meron-cluster algorithm.

The Ising chain in transverse field is a paradigmatic model for a host of physical phenomena, including spontaneous symmetry breaking, topological defects, quantum criticality, and duality. Although the quasi-1D ferromagnet CoNb$_2$O$_6$ has been put forward as the best material example of the transverse field Ising model, it exhibits significant deviations from ideality. Through a combination of THz spectroscopy and theory, we show that CoNb$_2$O$_6$ in fact is well described by a different model with strong bond dependent interactions, which we dub the \it twisted Kitaev chain, as these interactions share a close resemblance to a one-dimensional version of the intensely studied honeycomb Kitaev model. In this model the ferromagnetic ground state of CoNb$_2$O$_6$ arises from the compromise between two distinct alternating axes rather than a single easy axis. Due to this frustration, even at zero applied field domain-wall excitations have quantum motion that is described by the celebrated Su-Schriefer-Heeger model of polyacetylene. This leads to rich behavior as a function of field. Despite the anomalous domain wall dynamics, close to a critical transverse field the twisted Kitaev chain enters a universal regime in the Ising universality class. This is reflected by the observation that the excitation gap in CoNb$_2$O$_6$ in the ferromagnetic regime closes at a rate precisely twice that of the paramagnet. This originates in the duality between domain walls and spin-flips and the topological conservation of domain wall parity. We measure this universal ratio `2' to high accuracy -- the first direct evidence for the Kramers-Wannier duality in nature.

We study the quantum phase transition between the superfluid and valence bond solid in "easy-plane" J-Q models on the square lattice. The Hamiltonian we study is a linear combination of two model Hamiltonians: (1) an SU(2) symmetric model, which is the well known J-Q model that does not show any direct signs of a discontinuous transition on the largest lattices and is presumed continuous, and (2) an easy plane version of the J-Q model, which shows clear evidence for a first order transition even on rather small lattices of size $L\approx16$. A parameter $0\leq\lambda\leq 1$ ($\lambda=0$ being the easy-plane model and $\lambda=1$ being the SU(2) symmetric J-Q model) allows us to smoothly interpolate between these two limiting models. We use stochastic series expansion (SSE) quantum Monte Carlo (QMC) to investigate the nature of this transition as $\lambda$ is varied - here we present studies for $\lambda=0,0.5,0.75,0.85,0.95$ and $1$. While we find that the first order transition weakens as $\lambda$ is increased from 0 to 1, we find no evidence that the transition becomes continuous until the SU(2) symmetric point, $\lambda=1$. We thus conclude that the square lattice superfluid-VBS transition in the two-component easy-plane model is generically first order.

We study the band structure of electrons hopping on a honeycomb lattice with 1/q (q integer) flux quanta through each elementary hexagon. In the nearest neighbor hopping model the two bands that eventually form the n = 0 Landau level have 2q zero energy Dirac touchings. In this work, we study the conditions needed for these Dirac points and their stability to various perturbations. We prove that these touchings and their locations are guaranteed by a combination of an anti-unitary particle-hole symmetry and the lattice symmetries of the honeycomb structure. We also study the stability of the Dirac touchings to one-body perturbations that explicitly lower the symmetry.

We present a study of a simple model antiferromagnet consisting of a sum of nearest neighbor SO($N$) singlet projectors on the Kagome lattice. Our model shares some features with the popular $S=1/2$ Kagome antiferromagnet but is specifically designed to be free of the sign-problem of quantum Monte Carlo. In our numerical analysis, we find as a function of $N$ a quadrupolar magnetic state and a wide range of a quantum spin liquid. A solvable large-$N$ generalization suggests that the quantum spin liquid in our original model is a gapped ${\mathbb Z}_2$ topological phase. Supporting this assertion, a numerical study of the entanglement entropy in the sign free model shows a quantized topological contribution.

We introduce a strategy to write down lattice models of spin rotational symmetric Hamiltonians with arbitrary spin-$S$ that are Marshall positive and can be simulated efficiently using world line Monte Carlo methods. As an application of our approach we consider a square lattice $S=1$ model for which we design a $3\times 3$ - spin plaquette interaction. By numerical simulations we establish that our model realizes a novel "Haldane nematic" phase that breaks lattice rotational symmetry by the spontaneous formation of Haldane chains, while preserving spin rotations, time reversal and lattice translations. By supplementing our model with a two-spin Heisenberg interaction, we present a study of the transition between Néel and Haldane nematic phase, which we find to be of first order.

We study the Néel to four-fold columnar valence bond solid (cVBS) quantum phase transition in a sign free $S=1$ square lattice model. This is the same kind of transition that for $S=1/2$ has been argued to realize the prototypical deconfined critical point. Extensive numerical simulations of the square lattice $S=1/2$ Néel-VBS transition have found consistency with the DCP scenario with no direct evidence for first order behavior. In contrast to the $S=1/2$ case, in our quantum Monte Carlo simulations for the $S=1$ model, we present unambiguous evidence for a direct conventional first-order quantum phase transition. Classic signs for a first order transition demonstrating co-existence including double peaked histograms and switching behavior are observed. The sharp contrast from the $S=1/2$ case is remarkable, and is a striking demonstration of the role of the size of the quantum spin in the phase diagram of two dimensional lattice models.

We study the ground state ordering of quadrupolar ordered $S=1$ magnets as a function of spin dilution probability $p$ on the triangular lattice. In sharp contrast to the ordering of $S=1/2$ dipolar Néel magnets on percolating clusters, we find that the quadrupolar magnets are quantum disordered at the percolation threshold, $p=p^*$. Further we find that long-range quadrupolar order is present for all $p<p^*$ and vanishes first exactly at $p^*$. Strong evidence for scaling behavior close to $p^*$ points to an unusual quantum criticality without fine tuning that arises from an interplay of quantum fluctuations and randomness.

We study fixed points of the easy-plane $\mathbb{CP}^{N-1}$ field theory by combining quantum Monte Carlo simulations of lattice models of easy-plane SU($N$) superfluids with field theoretic renormalization group calculations, by using ideas of deconfined criticality. From our simulations, we present evidence that at small $N$ our lattice model has a first order phase transition which progressively weakens as $N$ increases, eventually becoming continuous for large values of $N$. Renormalization group calculations in $4-\epsilon$ dimensions provide an explanation of these results as arising due to the existence of an $N_{ep}$ that separates the fate of the flows with easy-plane anisotropy. When $N<N_{ep}$ the renormalization group flows to a discontinuity fixed point and hence a first order transition arises. On the other hand, for $N > N_{ep}$ the flows are to a new easy-plane $\mathbb{CP}^{N-1}$ fixed point that describes the quantum criticality in the lattice model at large $N$. Our lattice model at its critical point thus gives efficient numerical access to a new strongly coupled gauge-matter field theory.

We revisit the effect of local interactions on the quadratic band touching (QBT) of Bernal stacked bilayer graphene models using renormalization group (RG) arguments and quantum Monte Carlo simulations of the Hubbard model. We present an RG argument which predicts, contrary to previous studies, that weak interactions do not flow to strong coupling even if the free dispersion has a QBT. Instead they generate a linear term in the dispersion, which causes the interactions to flow back to weak coupling. Consistent with this RG scenario, in unbiased quantum Monte Carlo simulations of the Hubbard model we find compelling evidence that antiferromagnetism turns on at a finite $U/t$, despite the $U=0$ hopping problem having a QBT. The onset of antiferromagnetism takes place at a continuous transition which is consistent with a dynamical critical exponent $z=1$ as expected for 2+1 d Gross-Neveu criticality. We conclude that generically in models of bilayer graphene, even if the free dispersion has a QBT, small local interactions generate a Dirac phase with no symmetry breaking and that there is a finite-coupling transition out of this phase to a symmetry-broken state.

We consider the easy-plane limit of bipartite SU($N$) Heisenberg Hamiltonians which have a fundamental representation on one sublattice and the conjugate to fundamental on the other sublattice. For $N=2$ the easy plane limit of the SU(2) Heisenberg model is the well known quantum XY model of a lattice superfluid. We introduce a logical method to generalize the quantum XY model to arbitrary $N$, which keeps the Hamiltonian sign-free. We show that these quantum Hamiltonians have a world-line representation as the statistical mechanics of certain tightly packed loop models of $N$-colors in which neighboring loops are disallowed from having the same color. In this loop representation we design an efficient Monte Carlo cluster algorithm for our model. We present extensive numerical results for these models on the two dimensional square lattice, where we find the nearest neighbor model has superfluid order for $N\leq 5$ and valence-bond order for $N> 5$. By introducing SU($N$) easy-plane symmetric four-spin couplings we are able to tune across the superfluid-VBS phase boundary for all $N\leq 5$. We present clear evidence that this quantum phase transition is first order for $N=2$ and $N=5$, suggesting that easy-plane deconfined criticality runs away generically to a first order transition for small-$N$.

We introduce a simple model of SO($N$) spins with two-site interactions which is amenable to quantum Monte-Carlo studies without a sign problem on non-bipartite lattices. We present numerical results for this model on the two-dimensional triangular lattice where we find evidence for a spin nematic at small $N$, a valence-bond solid (VBS) at large $N$ and a quantum spin liquid at intermediate $N$. By the introduction of a sign-free four-site interaction we uncover a rich phase diagram with evidence for both first-order and exotic continuous phase transitions.

In this manuscript we review recent developments in the numerical simulations of bipartite SU(N) spin models by quantum Monte Carlo (QMC) methods. We provide an account of a large family of newly discovered sign-problem free spin models which can be simulated in their ground states on large lattices, containing O(10^5) spins, using the stochastic series expansion method with efficient loop algorithms. One of the most important applications so far of these Hamiltonians are to unbiased studies of quantum criticality between Neel and valence bond phases in two dimensions -- a summary of this body of work is provided. The article concludes with an overview of the current status of and outlook for future studies of the "designer" Hamiltonians.

We present a study of the scaling behavior of the Rényi entanglement entropy (REE) in SU($N$) spin chain Hamiltonians, in which all the spins transform under the fundamental representation. These SU($N$) spin chains are known to be quantum critical and described by a well known Wess-Zumino-Witten (WZW) non-linear sigma model in the continuum limit. Numerical results from our lattice Hamiltonian are obtained using stochastic series expansion (SSE) quantum Monte Carlo for both closed and open boundary conditions. As expected for this 1D critical system, the REE shows a logarithmic dependence on the subsystem size with a prefector given by the central charge of the SU($N$) WZW model. We study in detail the sub-leading oscillatory terms in the REE under both periodic and open boundaries. Each oscillatory term is associated with a WZW field and decays as a power law with an exponent proportional to the scaling dimension of the corresponding field. We find that the use of periodic boundaries (where oscillations are less prominent) allows for a better estimate of the central charge, while using open boundaries allows for a better estimate of the scaling dimensions. For completeness we also present numerical data on the thermal Rényi entropy which equally allows for extraction of the central charge.

We synthesize and study single crystals of the layered honeycomb lattice Mott insulators Na2RuO3 and Li2RuO3 with magnetic Ru4+(4d4) ions. The newly found Na2RuO3 features a nearly ideal honeycomb lattice and orders antiferromagnetically at 30 K. Single-crystals of Li2RuO3 adopt a honeycomb lattice with either C2/m or more distorted P21/m below 300 K, depending on detailed synthesis conditions. We find that Li2RuO3 in both structures hosts a well-defined magnetic state, in contrast to the singlet ground state found in polycrystalline Li2RuO3. A phase diagram generated based on our results uncovers a new, direct correlation between the magnetic ground state and basal-plane distortions in the honeycomb ruthenates.

We consider bipartite SU($N$) spin Hamiltonians with a fundamental representation on one sublattice and a conjugate to fundamental on the other sublattice. By mapping these antiferromagnets to certain classical loop models in one higher dimension, we provide a practical strategy to write down a large family of SU($N$) symmetric spin Hamiltonians that satisfy Marshall's sign condition. This family includes all previously known sign-free SU($N$) spin models in this representation and in addition provides a large set of new models that are Marshall positive and can hence be studied efficiently with quantum Monte Carlo methods. As an application of our idea to the square lattice, we show that in addition to Sandvik's $Q$-term, there is an independent non-trivial four-spin $R$-term that is sign-free. Using numerical simulations, we show how the $R$-term provides a new route to the study of quantum criticality of Néel order.

We synthesize and study single crystals of a new double-perovskite Sr2YIrO6. Despite two strongly unfavorable conditions for magnetic order, namely, pentavalent Ir5+(5d4) ions which are anticipated to have Jeff=0 singlet ground states in the strong spin-orbit coupling (SOC) limit, and geometric frustration in a face centered cubic structure formed by the Ir5+ ions, we observe this iridate to undergo a novel magnetic transition at temperatures below 1.3 K. We provide compelling experimental and theoretical evidence that the origin of magnetism is in an unusual interplay between strong non-cubic crystal fields and intermediate-strength SOC. Sr2YIrO6 provides a rare example of the failed dominance of SOC in the iridates.

We report the successful synthesis of single-crystals of the layered iridate, (Na$_{1-x}$Li$_{x}$)$_2$IrO$_3$, $0\leq x \leq 0.9$, and a thorough study of its structural, magnetic, thermal and transport properties. The new compound allows a controlled interpolation between Na$_2$IrO$_3$ and Li$_2$IrO$_3$, while maintaing the novel quantum magnetism of the honeycomb Ir$^{4+}$ planes. The measured phase diagram demonstrates a dramatic suppression of the Néel temperature, $T_N$, at intermediate $x$ suggesting that the magnetic order in Na$_2$IrO$_3$ and Li$_2$IrO$_3$ are distinct, and that at $x\approx 0.7$, the compound is close to a magnetically disordered phase that has been sought after in Na$_2$IrO$_3$ and Li$_2$IrO$_3$. By analyzing our magnetic data with a simple theoretical model we also show that the trigonal splitting, on the Ir$^{4+}$ ions changes sign from Na$_2$IrO$_3$ and Li$_2$IrO$_3$, and the honeycomb iridates are in the strong spin-orbit coupling regime, controlled by $\jeff=1/2$ moments.

We present an extensive quantum Monte Carlo study of the Néel-valence bond solid (VBS) phase transition on rectangular and honeycomb lattice SU($N$) antiferromagnets in sign problem free models. We find that in contrast to the honeycomb lattice and previously studied square lattice systems, on the rectangular lattice for small $N$ a first order Néel-VBS transition is realized. On increasing $N\geq 4$, we observe that the transition becomes continuous and with the \em same universal exponents as found on the honeycomb and square lattices (studied here for $N=5,7,10$), providing strong support for a deconfined quantum critical point. Combining our new results with previous numerical and analytical studies we present a general phase diagram of the stability of $\mathbb{CP}^{N-1}$ fixed points with $q$-monopoles.

Motivated by the spate of recent experimental and theoretical interest in Mott insulating S=1 triangular lattice magnets, we consider a model S=1 Hamiltonian on a triangular lattice interacting with rotationally symmetric biquadratic interactions. We show that the partition function of this model can be expressed in terms of configurations of three colors of tightly-packed, closed loops with \em non-negative weights, which allows for efficient quantum Monte Carlo sampling on large lattices. We find the ground state has spin nematic order, i.e. it spontaneously breaks spin rotation symmetry but preserves time reversal symmetry. We present accurate results for the parameters of the low energy field theory, as well as finite-temperature thermodynamic functions.

A newly predicted state of matter is a simple theoretical example of a phase that conducts electricity but is not smoothly connected to our conventional model of metals. A viewpoint on arXiv:1201.5998.

Sr2IrO4 is a magnetic insulator driven by spin-orbit interaction (SOI) whereas the isoelectronic and isostructural Sr2RhO4 is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of the strong SOI in the iridate. Our investigation of structural, transport, magnetic and thermal properties reveals that substituting 4d Rh4+ (4d5) ions for 5d Ir4+(5d5) ions in Sr2IrO4 directly reduces the SOI and rebalances the competing energies so profoundly that it generates a rich phase diagram for Sr2Ir1-xRhxO4 featuring two major effects: (1) Light Rh doping (0\leqx\leq0.16) prompts a simultaneous and precipitous drop in both the electrical resistivity and the magnetic ordering temperature TC, which is suppressed to zero at x = 0.16 from 240 K at x=0. (2) However, with heavier Rh doping (0.24< x<0.85 (\pm0.05)) disorder scattering leads to localized states and a return to an insulating state with spin frustration and exotic magnetic behavior that only disappears near x=1. The intricacy of Sr2Ir1-xRhxO4 is further highlighted by comparison with Sr2Ir1-xRuxO4 where Ru4+(4d4) drives a direct crossover from the insulating to metallic states.

We present results for the phase diagram of an SU($N$) generalization of the Heisenberg antiferromagnet on a bipartite three-dimensional anisotropic cubic (tetragonal) lattice as a function of $N$ and the lattice anisotropy $\gamma$. In the "isotropic" $\gamma=1$ cubic limit, we find a transition from Néel to valence bond solid (VBS) between N=9 and N=10. We follow the Néel-VBS transition to the limiting cases of $\gamma \ll 1 $ (weakly coupled layers) and $\gamma \gg 1$ (weakly coupled chains). Throughout the phase diagram we find a direct first-order transition from Néel at small-$N$ to VBS at large-$N$. In the three-dimensional models studied here, we find no evidence for either an intervening spin-liquid "photon" phase or a continuous transition, even close to the limit $\gamma \ll 1$ where the isolated layers undergo continuous Néel-VBS transitions.

We discuss designer Hamiltonians---lattice models tailored to be free from sign problems ("de-signed") when simulated with quantum Monte Carlo methods but which still host complex many-body states and quantum phase transitions of interest in condensed matter physics. We focus on quantum spin systems in which competing interactions lead to non-magnetic ground states. These states and the associated quantum phase transitions can be studied in great detail, enabling direct access to universal properties and connections with low-energy effective quantum field theories. As specific examples, we discuss the transition from a Neel antiferromagnet to either a uniform quantum paramagnet or a spontaneously symmetry-broken valence-bond solid in SU(2) and SU(N) invariant spin models. We also discuss anisotropic (XXZ) systems harboring topological Z2 spin liquids and the XY* transition. We briefly review recent progress on quantum Monte Carlo algorithms, including ground state projection in the valence-bond basis and direct computation of the Renyi variants of the entanglement entropy.

We present a detailed study of the destruction of SU(N) magnetic order in square lattice bilayer anti-ferromagnets using unbiased quantum Monte Carlo numerical simulations and field theoretic techniques. We study phase transitions from an SU(N) Néel state into two distinct quantum disordered "valence-bond" phases: a valence-bond liquid (VBL) with no broken symmetries and a lattice-symmetry breaking valence-bond solid (VBS) state. For finite inter-layer coupling, the cancellation of Berry phases between the layers has dramatic consequences on the two phase transitions: the Néel-VBS transition is first order for all $N\geq5$ accesible in our model, whereas the Néel-VBL transition is continuous for N=2 and first order for N>= 4; for N=3 the Néel-VBL transition show no signs of first-order behavior.

We establish compelling evidence for the existence of new quasi-one-dimensional descendants of the d-wave Bose liquid (DBL), an exotic two-dimensional quantum phase of uncondensed itinerant bosons characterized by surfaces of gapless excitations in momentum space [O. I. Motrunich and M. P. A. Fisher, Phys. Rev. B \bf 75, 235116 (2007)]. In particular, motivated by a strong-coupling analysis of the gauge theory for the DBL, we study a model of hard-core bosons moving on the $N$-leg square ladder with frustrating four-site ring exchange. Here, we focus on four- and three-leg systems where we have identified two novel phases: a compressible gapless Bose metal on the four-leg ladder and an incompressible gapless Mott insulator on the three-leg ladder. The former is conducting along the ladder and has five gapless modes, one more than the number of legs. This represents a significant step forward in establishing the potential stability of the DBL in two dimensions. The latter, on the other hand, is a fundamentally quasi-one-dimensional phase that is insulating along the ladder but has two gapless modes and incommensurate power law transverse density-density correlations. In both cases, we can understand the nature of the phase using slave-particle-inspired variational wave functions consisting of a product of two distinct Slater determinants, the properties of which compare impressively well to a density matrix renormalization group solution of the model Hamiltonian. Stability arguments are made in favor of both quantum phases by accessing the universal low-energy physics with a bosonization analysis of the appropriate quasi-1D gauge theory. We will briefly discuss the potential relevance of these findings to high-temperature superconductors, cold atomic gases, and frustrated quantum magnets.

We generalize the SU(N=2) $S=1/2$ square-lattice quantum magnet with nearest-neighbor antiferromagnetic coupling ($J_1$) and next-nearest-neighbor ferromagnetic coupling ($J_2$) to arbitrary $N$. For all $N>4$, the ground state has valence-bond-solid (VBS) order for $J_2=0$ and Néel order for $J_2/J_1\gg 1$, allowing us access to the transition between these types of states for large $N$. Using quantum Monte Carlo simulations, we show that both order parameters vanish at a single quantum-critical point, whose universal exponents for large enough $N$ (here up to N=12) approach the values obtained in a 1/N expansion of the non-compact CP$^{N-1}$ field theory. These results lend strong support to the deconfined quantum-criticality theory of the Néel--VBS transition.

We study the quantum phase transition out of the Neel state in SU(3) and SU(4) generalizations of the Heisenberg anti-ferromagnet with a sign problem free four spin coupling (so-called JQ model), by extensive quantum Monte Carlo simulations. We present evidence that the SU(3) and SU(4) order parameters and the SU(3) and SU(4) stiffness' go to zero continuously without any evidence for a first order transition. However, we find considerable deviations from simple scaling laws for the stiffness even in the largest system sizes studied. We interpret these as arising from multiplicative scaling terms in these quantities which affect the leading behavior, i.e., they will persist in the thermodynamic limit unlike the conventional additive corrections from irrelevant operators. We conjecture that these multiplicative terms arise from dangerously irrelevant operators whose contributions to the quantities of interest are non-analytic.

We present evidence for an exotic gapless insulating phase of hard-core bosons on multi-leg ladders with a density commensurate with the number of legs. In particular, we study in detail a model of bosons moving with direct hopping and frustrating ring exchange on a 3-leg ladder at $\nu=1/3$ filling. For sufficiently large ring exchange, the system is insulating along the ladder but has two gapless modes and power law transverse density correlations at incommensurate wave vectors. We propose a determinantal wave function for this phase and find excellent comparison between variational Monte Carlo and density matrix renormalization group calculations on the model Hamiltonian, thus providing strong evidence for the existence of this exotic phase. Finally, we discuss extensions of our results to other $N$-leg systems and to $N$-layer two-dimensional structures.

Motivated by CoNb2O6 (belonging to the columbite family of minerals), we theoretically study the physics of quantum ferromagnetic Ising chains coupled anti-ferromagnetically on a triangular lattice in the plane perpendicular to the chain direction. We combine exact solutions of the chain physics with perturbative approximations for the transverse couplings. When the triangular lattice has an isosceles distortion (which occurs in the real material), the T=0 phase diagram is rich with five different states of matter: ferrimagnetic, Néel, anti-ferromagnetic, paramagnetic and incommensurate phases, separated by quantum phase transitions. Implications of our results to experiments on CoNb2O6 are discussed.

We consider an "impurity" with a spin degree of freedom coupled to a finite reservoir of non-interacting electrons, a system which may be realized by either a true impurity in a metallic nano-particle or a small quantum dot coupled to a large one. We show how the physics of such a spin impurity is revealed in the many-body spectrum of the entire finite-size system; in particular, the evolution of the spectrum with the strength of the impurity-reservoir coupling reflects the fundamental many-body correlations present. Explicit calculation in the strong and weak coupling limits shows that the spectrum and its evolution are sensitive to the nature of the impurity and the parity of electrons in the reservoir. The effect of the finite size spectrum on two experimental observables is considered. First, we propose an experimental setup in which the spectrum may be conveniently measured using tunneling spectroscopy. A rate equation calculation of the differential conductance suggests how the many-body spectral features may be observed. Second, the finite-temperature magnetic susceptibility is presented, both the impurity susceptibility and the local susceptibility. Extensive quantum Monte-Carlo calculations show that the local susceptibility deviates from its bulk scaling form. Nevertheless, for special assumptions about the reservoir -- the "clean Kondo box" model -- we demonstrate that finite-size scaling is recovered. Explicit numerical evaluations of these scaling functions are given, both for even and odd parity and for the canonical and grand-canonical ensembles.

We study the textures of generalized "charge densities" (scalar objects invariant under time reversal), in the vicinity of non-magnetic impurities in square-lattice quantum anti-ferromagnets, by order parameter field theories. Our central finding is the structure of the "vortex" in the generalized density wave order parameter centered at the non-magnetic impurity. Using exact numerical data from quantum Monte Carlo simulations on an antiferromagnetic spin model, we are able to verify the results of our field theoretic study. We extend our phenomenological approach to the period-4 bond-centered density wave found in the underdoped cuprates.

We present computations of certain finite-size scaling functions and universal amplitude ratios in the large-N limit of the CP^N-1 field theory. We pay particular attention to the uniform susceptibility, the spin stiffness and the specific heat. Field theoretic arguments have shown that the long-wavelength description of the phase transition between the Neel and valence bond solid states in square lattice S=1/2 anti-ferromagnets is expected to be the non-compact CP^1 field theory. We provide a detailed comparison between our field theoretic calculations and quantum Monte Carlo data close to the Neel -VBS transition on a S=1/2 square-lattice model with competing four-spin interactions (the JQ model).

Motivated by the evidence in PCCO and NCCO of a magnetic quantum critical point at which Neel order is destroyed, we study the evolution with doping of the T=0 quantum phases of the electron doped cuprates. At low doping, there is a metallic Neel state with small electron Fermi pockets, and this yields a fully gapped d_x^2-y^2 superconductor with co-existing Neel order at low temperatures. We analyze the routes by which the spin-rotation symmetry can be restored in these metallic and superconducting states. In the metal, the loss of Neel order leads to a topologically ordered `doublon metal' across a deconfined critical point with global O(4) symmetry. In the superconductor, in addition to the conventional spin density wave transition, we find a variety of unconventional possibilities, including transitions to a nematic superconductor and to valence bond supersolids. Measurements of the spin correlation length and of the anomalous dimension of the Neel order by neutron scattering or NMR should discriminate these unconventional transitions from spin density wave theory.

We consider relativistic U(1) gauge theories in 2+1 dimensions, with N_b species of complex bosons and N_f species of Dirac fermions at finite temperature. The quantum phase transition between the Higgs and Coulomb phases is described by a conformal field theory (CFT). At large N_b and N_f, but for arbitrary values of the ratio N_b/N_f, we present computations of various critical exponents and universal amplitudes for these CFTs. We make contact with the different spin-liquids, charge-liquids and deconfined critical points of quantum magnets that these field theories describe. We compute physical observables that may be measured in experiments or numerical simulations of insulating and doped quantum magnets.

We present results of extensive finite-temperature Quantum Monte Carlo simulations on a SU(2) symmetric S=1/2 quantum antiferromagnet with a four-spin interaction [Sandvik, Phys. Rev. Lett. 98, 227202 (2007)]. Our simulations, which are free of the sign-problem and carried out on lattices containing in excess of 1.6 X 10^4 spins, indicate that the four-spin interaction destroys the Néel order at an unconventional z=1 quantum critical point, producing a valence-bond solid paramagnet. Our results are consistent with the `deconfined quantum criticality' scenario.

High temperature superconductivity emerges in the cuprate compounds upon changing the electron density of an insulator in which the electron spins are antiferromagnetically ordered. A key characteristic of the superconductor is that electrons can be extracted from them at zero energy only if their momenta take one of four specific values (the `nodal points'). A central enigma has been the evolution of the zero energy electrons in the metallic state between the antiferromagnet and the superconductor, and recent experiments yield apparently contradictory results. The oscillation of the resistance in this metal as a function of magnetic field indicate that the zero energy electrons carry momenta which lie on elliptical `Fermi pockets', while ejection of electrons by high intensity light indicates that the zero energy electrons have momenta only along arc-like regions. We present a theory of new states of matter, which we call `algebraic charge liquids', which arise naturally between the antiferromagnet and the superconductor, and reconcile these observations. Our theory also explains a puzzling dependence of the density of superconducting electrons on the total electron density, and makes a number of unique predictions for future experiments.

We study the effects of a small density of holes, delta, on a square lattice antiferromagnet undergoing a continuous transition from a Neel state to a valence bond solid at a deconfined quantum critical point. We argue that at non-zero delta, it is likely that the critical point broadens into a non-Fermi liquid `holon metal' phase with fractionalized excitations. The holon metal phase is flanked on both sides by Fermi liquid states with Fermi surfaces enclosing the usual Luttinger area. However the electronic quasiparticles carry distinct quantum numbers in the two Fermi liquid phases, and consequently the limit of the ratio A_F/delta, as delta tends to zero (where A_F is the area of a hole pocket) has a factor of 2 discontinuity across the quantum critical point of the insulator. We demonstrate that the electronic spectrum at this transition is described by the `boundary' critical theory of an impurity coupled to a 2+1 dimensional conformal field theory. We compute the finite temperature quantum-critical electronic spectra and show that they resemble "Fermi arc" spectra seen in recent photoemission experiments on the pseudogap phase of the cuprates.

The quantum phase transitions of metals have been extensively studied in the rare-earth "heavy electron" materials, the cuprates, and related compounds. The Fermi surface of the metal often has different shapes in the states well away from the critical point. It has been proposed that these differences can persist up to the critical point, setting up a discontinuous Fermi surface change across a continuous quantum transition. We study square lattice antiferromagnets undergoing a continuous transition from a Neel state to a valence bond solid, and examine the fate of a small density of holes in the two phases. Fermi surfaces of charge e, spin 1/2 quasiparticles appear in both phases, enclosing the usual Luttinger area. However, additional quantum numbers cause the area enclosed by each Fermi surface pocket to jump by a factor of 2 across the transition in the limit of small density. We demonstrate that the electronic spectrum across this transition is described by a critical theory of a localized impurity coupled to a 2+1 dimensional conformal field theory. This critical theory also controls the more complex Fermi surface crossover at fixed density, which likely involves intermediate phases with exotic fractionalized excitations. We suggest that such theories control the electronic spectrum in the pseudogap phase of the cuprates.

We investigate the low-temperature behavior of Kondo lattices upon random depletion of the local $f$-moments, by using strong-coupling arguments and solving SU($N$) saddle-point equations on large lattices. For a large range of intermediate doping levels, between the coherent Fermi liquid of the dense lattice and the single-impurity Fermi liquid of the dilute limit, we find strongly inhomogeneous states that exhibit distinct non-Fermi liquid characteristics. In particular, the interplay of dopant disorder and strong interactions leads to rare weakly screened moments which dominate the bulk susceptibility. Our results are relevant to compounds like Ce_xLa_1-xCoIn_5 and Ce_xLa_1-xPb_3

Motivated by experiments on double quantum dots, we study the problem of a single magnetic impurity confined in a finite metallic host. We prove an exact theorem for the ground state spin, and use analytic and numerical arguments to map out the spin structure of the excitation spectrum of the many-body Kondo-correlated state, throughout the weak to strong coupling crossover. These excitations can be probed in a simple tunneling-spectroscopy transport experiment; for that situation we solve rate equations for the conductance.

Using a phenomenological lattice model of coupled spin and charge modes, we determine the spin susceptibility in the presence of fluctuating stripe charge order. We assume the charge fluctuations to be slow compared to those of the spins, and combine Monte Carlo simulations for the charge order parameter with exact diagonalization of the spin sector. Our calculations unify the spin dynamics of both static and fluctuating stripe phases and support the notion of a universal spin excitation spectrum in doped cuprate superconductors.

We show that there is no fermion sign problem in the Hirsch and Fye algorithm for the single-impurity Anderson model. Beyond the particle-hole symmetric case for which a simple proof exists, this has been known only empirically. Here we prove the nonexistence of a sign problem for the general case by showing that each spin trace for a given Ising configuration is separately positive. We further use this insight to analyze under what conditions orbitally degenerate Anderson models or the two-impurity Anderson model develop a sign.

Nanoscale physics and dynamical mean field theory have both generated increased interest in complex quantum impurity problems and so have focused attention on the need for flexible quantum impurity solvers. Here we demonstrate that the mapping of single quantum impurity problems onto spin-chains can be exploited to yield a powerful and extremely flexible impurity solver. We implement this cluster algorithm explicitly for the Anderson and Kondo Hamiltonians, and illustrate its use in the ``mesoscopic Kondo problem''. To study universal Kondo physics, a large ratio between the effective bandwidth $D_\mathrm{eff}$ and the temperature $T$ is required; our cluster algorithm treats the mesoscopic fluctuations exactly while being able to approach the large $D_\mathrm{eff}/T$ limit with ease. We emphasize that the flexibility of our method allows it to tackle a wide variety of quantum impurity problems; thus, it may also be relevant to the dynamical mean field theory of lattice problems.

We study the effect of mesoscopic fluctuations on a magnetic impurity coupled to a spatially confined electron gas with a temperature in the mesoscopic range (i.e. between the mean level spacing $\Delta$ and the Thouless energy $E_{\rm Th}$). Comparing ``poor-man's scaling'' with exact Quantum Monte Carlo, we find that for temperatures larger than the Kondo temperature, many aspects of the fluctuations can be captured by the perturbative technique. Using this technique in conjunction with semi-classical approximations, we are able to calculate the mesoscopic fluctuations for a wide variety of systems. For temperatures smaller than the Kondo temperature, we find large fluctuations and deviations from the universal behavior.

Properties of the Kondo effect in quantum dots depend sensitively on the coupling parameters and so on the realization of the quantum dot -- the Kondo temperature itself becomes a mesoscopic quantity. Assuming chaotic dynamics in the dot, we use random matrix theory to calculate the distribution of both the Kondo temperature and the conductance in the Coulomb blockade regime. We study two experimentally relevant cases: leads with single channels and leads with many channels. In the single-channel case, the distribution of the conductance is very wide as $T_K$ fluctuates on a logarithmic scale. As the number of channels increases, there is a slow crossover to a self-averaging regime.