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Jonathan D'Emidio

Publications and source records attributed to Jonathan D'Emidio.

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Critical SO(5) scaling of entanglement entropy at honeycomb lattice deconfined criticality

The deconfined quantum critical point (DQCP) in square lattice S=1/2 quantum antiferromagnets has been extensively studied with a large body of evidence pointing to a weakly first-order transition scenario. Recent studies, which focused on entanglement at this nearly continuous DQCP in square lattice J-Q models, have observed conflicting bipartite entanglement entropy (EE) scaling behavior. One bipartition choice gave scaling coefficients in remarkable agreement with predictions from the unitary CFT corresponding to the putative DQCP. While another equally natural choice gave scaling coefficients in complete violation of unitary CFT that may be attributed to lack of scale invariance at the known weakly first-order behavior of the model. This motivates the exploration of DQCP behavior via entanglement measures in lattice models with distinct crystalline symmetries. Here we study a S=1/2 honeycomb model that hosts a nearly continuous transition between Néel and valence-bond-solid ground states relevant to probing DQCP. Using large-scale quantum Monte Carlo simulations, we compute the Rényi EE for a variety of bipartitions and test the CFT based description of the DQCP on the honeycomb lattice. For smooth bipartitions, we find no evidence of logarithmic corrections, in accordance with CFT, thereby essentially ruling out contributions from Goldstone modes. For subsystems with corners, CFT predicts universal logarithmic contributions, which we extract for corners with 60 and 120 degree angles and find close agreement with an emergent SO(5) CFT. While we observe scaling consistent with a critical system in the majority of cases, we also demonstrate an intriguing counterexample of the hexagon subsystem that exhibits a subtle period three oscillation. This results in three separate finite-size series, where the sign of the logarithmic term apparently changes depending on the series.

cond-mat.str-el

Pseudocriticality in antiferromagnetic spin chains

Weak first-order pseudocriticality with approximate scale invariance has been observed in a variety of settings, including the intriguing case of deconfined criticality in 2+1 dimensions. Recently, this has been interpreted as extremely slow flows ("walking behavior") for real-valued couplings in proximity to a bona fide critical point with complex-valued couplings, described by a complex conformal field theory (CFT). Here we study an SU($N$) generalization of the the Heisenberg antiferromagnet, which is a familiar model for deconfined criticality in 2+1 dimensions. We show that in 1+1 dimensions the model is located near a complex CFT, whose proximity can be tuned as a function of $N$. We employ state-of-the-art quantum Monte Carlo simulations for continuous $N$ along with an improved loop estimator for the Rényi entanglement entropy based on a nonequilibrium work protocol. These techniques allow us to track the central charge of this model in detail as a function of $N$, where we observe excellent agreement with CFT predictions. Notably, this includes the region $N>2$, where the CFT moves into the complex plane and pseudocritical drifts enable us to recover the real part of the complex central charge with remarkable accuracy. Since the present model with $N=3$ is also equivalent to the spin-1 biquadratic model, our work sheds new light on the dimerized phase of the spin-1 chain, demonstrating that it is pseudocritical and proximate to a complex CFT.

cond-mat.str-el

Entanglement entropy and deconfined criticality: emergent SO(5) symmetry and proper lattice bipartition

We study the Rényi entanglement entropy (EE) of the two-dimensional $J$-$Q$ model, the emblematic quantum spin model of deconfined criticality at the phase transition between antiferromagnetic and valence-bond-solid ground states. State-of-the-art quantum Monte Carlo calculations of the EE reveal critical corner contributions that scale logarithmically with the system size, with a coefficient in remarkable agreement with the form expected from a large-$N$ conformal field theory with SO($N=5$) symmetry. However, details of the bipartition of the lattice are crucial in order to observe this behavior. If the subsystem for the reduced density matrix does not properly accommodate valence-bond fluctuations, logarithmic contributions appear even for corner-less bipartitions. We here use a $45^\circ$ tilted cut on the square lattice. Beyond supporting an SO($5$) deconfined quantum critical point, our results for both the regular and tilted cuts demonstrate important microscopic aspects of the EE that are not captured by conformal field theory.

cond-mat.str-el

Universal features of entanglement entropy in the honeycomb Hubbard model

The entanglement entropy is a unique probe to reveal universal features of strongly interacting many-body systems. In two or more dimensions these features are subtle, and detecting them numerically requires extreme precision, a notoriously difficult task. This is especially challenging in models of interacting fermions, where many such universal features have yet to be observed. In this paper we tackle this challenge by introducing a new method to compute the Rényi entanglement entropy in auxiliary-field quantum Monte Carlo simulations, where we treat the entangling region itself as a stochastic variable. We demonstrate the efficiency of this method by extracting, for the first time, universal subleading logarithmic terms in a two dimensional model of interacting fermions, focusing on the half-filled honeycomb Hubbard model at $T=0$. We detect the universal corner contribution due to gapless fermions throughout the Dirac semi-metal phase and at the Gross-Neveu-Yukawa critical point, where the latter shows a pronounced enhancement depending on the type of entangling cut. Finally, we observe the universal Goldstone mode contribution in the antiferromagnetic Mott insulating phase.

cond-mat.str-el

Diagnosing weakly first-order phase transitions by coupling to order parameters

The hunt for exotic quantum phase transitions described by emergent fractionalized degrees of freedom coupled to gauge fields requires a precise determination of the fixed point structure from the field theoretical side, and an extreme sensitivity to weak first-order transitions from the numerical side. Addressing the latter, we revive the classic definition of the order parameter in the limit of a vanishing external field at the transition. We demonstrate that this widely understood, yet so far unused approach provides a diagnostic test for first-order versus continuous behavior that is distinctly more sensitive than current methods. We first apply it to the family of $Q$-state Potts models, where the nature of the transition is continuous for $Q\leq4$ and turns (weakly) first order for $Q>4$, using an infinite system matrix product state implementation. We then employ this new approach to address the unsettled question of deconfined quantum criticality in the $S=1/2$ Néel to valence bond solid transition in two dimensions, focusing on the square lattice $J$-$Q$ model. Our quantum Monte Carlo simulations reveal that both order parameters remain finite at the transition, directly confirming a first-order scenario with wide reaching implications in condensed matter and quantum field theory.

cond-mat.str-el

Stable computation of entanglement entropy for 2D interacting fermion systems

There is no doubt that the information hidden in entanglement entropy (EE), for example, the $n$-th order Rényi EE, i.e., $S^{A}_n=\frac{1}{1-n}\ln \Tr (ρ_A^n)$ where $ρ_A=\mathrm{Tr}_{\overline{A}}ρ$ is the reduced density matrix, can be used to infer the organizing principle of 2D interacting fermion systems, ranging from spontaneous symmetry breaking phases, quantum critical points to topologically ordered states. It is far from clear, however, whether the EE can actually be obtained with the precision required to observe these fundamental features -- usually in the form of universal finite size scaling behavior. Even for the prototypical 2D interacting fermion model -- the Hubbard model, to all existing numerical algorithms, the computation of the EE has not been succeeded with reliable data that the universal scaling regime can be accessed. Here we explain the reason for these unsuccessful attempts in EE computations in quantum Monte Carlo simulations in the past decades and more importantly, show how to overcome the conceptual and computational barrier with the incremental algorithm, such that the stable computation of the EE in 2D interacting fermion systems can be achieved and universal scaling information can be extracted. Relevance towards the experimental 2D interacting fermion systems is discussed.

cond-mat.str-el

Lee-Yang zeros at $O(3)$ and deconfined quantum critical points

Lee-Yang theory, based on the study of zeros of the partition function, is widely regarded as a powerful and complimentary approach to the study of critical phenomena and forms a foundational part of the theory of phase transitions. Its widespread use, however, is complicated by the fact that it requires introducing complex-valued fields that create an obstacle for many numerical methods, especially in the quantum case where very limited studies exist beyond one dimension. Here we present a simple and statistically exact method to compute partition function zeros with general complex-valued external fields in the context of large-scale quantum Monte Carlo simulations. We demonstrate the power of this approach by extracting critical exponents from the leading Lee-Yang zeros of 2D quantum antiferromagnets with a complex staggered field, focusing on the Heisenberg bilayer and square-lattice $J$-$Q$ models. The method also allows us to introduce a complex field that couples to valence bond solid order, where we observe extended rings of zeros in the $J$-$Q$ model with purely imaginary staggered and valence bond solid fields.

cond-mat.str-el

Reduction of the sign problem near $T=0$ in quantum Monte Carlo simulations

Building on a recent investigation of the Shastry-Sutherland model [S. Wessel et al., Phys. Rev. B 98, 174432 (2018)], we develop a general strategy to eliminate the Monte Carlo sign problem near the zero temperature limit in frustrated quantum spin models. If the Hamiltonian of interest and the sign-problem-free Hamiltonian---obtained by making all off-diagonal elements negative in a given basis---have the same ground state and this state is a member of the computational basis, then the average sign returns to one as the temperature goes to zero. We illustrate this technique by studying the triangular and kagome lattice Heisenberg antiferrromagnet in a magnetic field above saturation, as well as the Heisenberg antiferromagnet on a modified Husimi cactus in the dimer basis. We also provide detailed appendices on using linear programming techniques to automatically generate efficient directed loop updates in quantum Monte Carlo simulations.

cond-mat.str-el

Entanglement entropy from nonequilibrium work

The Rényi entanglement entropy in quantum many-body systems can be viewed as the difference in free energy between partition functions with different trace topologies. We introduce an external field $λ$ that controls the partition function topology, allowing us to define a notion of nonequilibrium work as $λ$ is varied smoothly. Nonequilibrium fluctuation theorems of the work provide us with statistically exact estimates of the Rényi entanglement entropy. This framework also naturally leads to the idea of using quench functions with spatially smooth profiles, providing us a way to average over lattice scale features of the entanglement entropy while preserving long distance universal information. We use these ideas to extract universal information from quantum Monte Carlo simulations of SU(N) spin models in one and two dimensions. The vast gain in efficiency of this method allows us to access unprecedented system sizes up to 192 x 96 spins for the square lattice Heisenberg antiferromagnet.

cond-mat.str-el

First-order Néel-cVBS transition in a model square lattice $S=1$ antiferromagnet

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.

cond-mat.str-el

Kagome model for a ${\mathbb Z}_2$ quantum spin liquid

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.

cond-mat.str-el

Quadrupolar quantum criticality on a fractal

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.

cond-mat.str-el

New easy-plane $\mathbb{CP}^{N-1}$ fixed points

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 $4-ε$ 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 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.

cond-mat.str-el

First-order superfluid to valence bond solid phase transitions in easy-plane SU($N$) magnets for small-$N$

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-$N$.

cond-mat.str-el

Rényi entanglement entropy of critical SU($N$) spin chains

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.

cond-mat.str-el