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arXiv:1502.01035 · Physical Review B

Transitions to valence-bond solid order in a honeycomb lattice antiferromagnet

Sumiran Pujari, Fabien Alet, Kedar Damle

Published Mar 16, 2015• 55 citations
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Abstract

We use quantum Monte Carlo methods to study the ground-state phase diagram of a $S=1/2$ honeycomb lattice magnet in which a nearest-neighbor antiferromagnetic exchange $J$ (favoring N\'eel order) competes with two different multispin interaction terms: a six-spin interaction ${Q}_{3}$ that favors columnar valence-bond solid (VBS) order, and a four-spin interaction ${Q}_{2}$ that favors staggered VBS order. For ${Q}_{3}\ensuremath{\sim}{Q}_{2}\ensuremath{\gg}J$, we establish that the competition between the two different VBS orders stabilizes N\'eel order in a large swath of the phase diagram even when $J$ is the smallest energy scale in the Hamiltonian. When ${Q}_{3}\ensuremath{\gg}({Q}_{2},J)$ $\mathrm{[}{Q}_{2}\ensuremath{\gg}({Q}_{3},J)\text{]}$, this model exhibits at zero temperature phase transition from the N\'eel state to a columnar (staggered) VBS state. We establish that the N\'eel-columnar VBS transition is continuous for all values of ${Q}_{2}$, and that critical properties along the entire phase boundary are well characterized by critical exponents and amplitudes of the noncompact ${\mathrm{CP}}^{1}$ $({\mathrm{NCCP}}^{1})$ theory of deconfined criticality, similar to what is observed on a square lattice. However, a surprising threefold anisotropy of the phase of the VBS order parameter at criticality, whose presence was recently noted at the ${Q}_{2}=0$ deconfined critical point, is seen to persist all along this phase boundary. We use a classical analogy to explore this by studying the critical point of a three-dimensional $XY$ model with a fourfold anisotropy field which is known to be weakly irrelevant at the three-dimensional $XY$ critical point. In this case, we again find that the critical anisotropy appears to saturate to a nonzero value over the range of sizes accessible to our simulations.

DOI
10.1103/physrevb.91.104411

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We use quantum Monte Carlo methods to study the ground-state phase diagram of a S=1/2S=1/2S=1/2 honeycomb lattice magnet in which a nearest-neighbor antiferromagnetic exchange JJJ (favoring N'eel order) competes with two different multispin interaction terms: a six-spin interaction Q3{Q}_{3}Q3​ that favors columnar valence-bond solid (VBS) order, and a four-spin interaction Q2{Q}_{2}Q2​ that favors staggered VBS order. For Q3\ensuremath∼Q2\ensuremath≫J{Q}_{3}\ensuremath{\sim}{Q}_{2}\ensuremath{\gg}JQ3​\ensuremath∼Q2​\ensuremath≫J, we establish that the competition between the two different VBS orders stabilizes N'eel order in a large swath of the phase diagram even when JJJ is the smallest energy scale in the Hamiltonian. When Q3\ensuremath≫(Q2,J){Q}_{3}\ensuremath{\gg}({Q}_{2},J)Q3​\ensuremath≫(Q2​,J) [Q2\ensuremath≫(Q3,J)]\mathrm{[}{Q}_{2}\ensuremath{\gg}({Q}_{3},J)\text{]}[Q2​\ensuremath≫(Q3​,J)], this model exhibits at zero temperature phase transition from the N'eel state to a columnar (staggered) VBS state. We establish that the N'eel-columnar VBS transition is continuous for all values of Q2{Q}_{2}Q2​, and that critical properties along the entire phase boundary are well characterized by critical exponents and amplitudes of the noncompact CP1{\mathrm{CP}}^{1}CP1 (NCCP1)({\mathrm{NCCP}}^{1})(NCCP1) theory of deconfined criticality, similar to what is observed on a square lattice. However, a surprising threefold anisotropy of the phase of the VBS order parameter at criticality, whose presence was recently noted at the Q2=0{Q}_{2}=0Q2​=0 deconfined critical point, is seen to persist all along this phase boundary. We use a classical analogy to explore this by studying the critical point of a three-dimensional XYXYXY model with a fourfold anisotropy field which is known to be weakly irrelevant at the three-dimensional XYXYXY critical point. In this case, we again find that the critical anisotropy appears to saturate to a nonzero value over the range of sizes accessible to our simulations.
We study a spin-1/2 SU(2) model on the honeycomb lattice with nearest-neighbor antiferromagnetic exchange J that favors Néel order and competing six-spin interactions Q that favor a valence-bond-solid (VBS) state in which the bond energies order at the "columnar" wave vector K=(2π/3,-2π/3). We present quantum Monte Carlo evidence for a direct continuous quantum phase transition between Néel and VBS states, with exponents and logarithmic violations of scaling consistent with those at analogous deconfined critical points on the square lattice. Although this strongly suggests a description in terms of deconfined criticality, the measured threefold anisotropy of the phase of the VBS order parameter shows unusual near-marginal behavior at the critical point.
We study the N\'eel to fourfold columnar valence bond solid (cVBS) quantum phase transition in a sign-free S=1S=1S=1 square-lattice model. This is the same kind of transition that for S=1/2S=1/2S=1/2 has been argued to realize the prototypical deconfined critical point. Extensive numerical simulations of the square-lattice S=1/2S=1/2S=1/2 N\'eel-VBS transition have found consistency with the deconfined critical point scenario with no direct evidence for first-order behavior. In contrast to the S=1/2S=1/2S=1/2 case, in our quantum Monte Carlo simulations for the S=1S=1S=1 model, we present unambiguous evidence for a direct conventional first-order quantum phase transition. Classic signs of a first-order transition demonstrating coexistence including double-peaked histograms and switching behavior are observed. The sharp contrast from the S=1/2S=1/2S=1/2 case is remarkable; we hypothesize that this is a striking demonstration of the role of the size of the quantum spin in the phase diagram of two-dimensional lattice models.
Using variational wave functions and Monte Carlo techniques, we study the antiferromagnetic Heisenberg model with first-neighbor J1{J}_{1}J1​ and second-neighbor J2{J}_{2}J2​ antiferromagnetic couplings on the honeycomb lattice. We perform a systematic comparison of magnetically ordered and nonmagnetic states (spin liquids and valence-bond solids) to obtain the ground-state phase diagram. N\'eel order is stabilized for small values of the frustrating second-neighbor coupling. Increasing the ratio J2/J1{J}_{2}/{J}_{1}J2​/J1​, we find strong evidence for a continuous transition to a nonmagnetic phase at ${J}_{2}/{J}_{1}\ensuremath{\approx}0.23$. Close to the transition point, the Gutzwiller-projected uniform resonating valence-bond state gives an excellent approximation to the exact ground-state energy. For $0.23\ensuremath{\lesssim}{J}_{2}/{J}_{1}\ensuremath{\lesssim}0.36$, a gapless Z2{Z}_{2}Z2​ spin liquid with Dirac nodes competes with a plaquette valence-bond solid. In contrast, the gapped spin liquid considered in previous works has significantly higher variational energy. Although the plaquette valence-bond order is expected to be present as soon as the N\'eel order melts, this ordered state becomes clearly favored only for ${J}_{2}/{J}_{1}\ensuremath{\gtrsim}0.3$. Finally, for $0.36\ensuremath{\lesssim}{J}_{2}/{J}_{1}\ensuremath{\le}0.5$, a valence-bond solid with columnar order takes over as the ground state, being also lower in energy than the magnetic state with collinear order. We perform a detailed finite-size scaling and standard data collapse analysis, and we discuss the possibility of a deconfined quantum critical point separating the N\'eel antiferromagnet from the plaquette valence-bond solid.
We study the transition between N\'eel and columnar valence-bond solid ordering in two-dimensional S=3/2S=3/2S=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=1/2S=1/2S=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.
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 order for J(2)=0 and Néel order for J(2)/J(1)≫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 noncompact CP(N-1) field theory. These results lend strong support to the deconfined quantum-criticality theory of the Néel-valence-bond-solid transition.
We use quantum Monte Carlo simulations to study an S = 1/2 spin model with competing multi-spin interactions. We find a quantum phase transition between a columnar valence-bond solid (cVBS) and a Néel antiferromagnet (AFM), as in the scenario of deconfined quantum-critical points, as well as a transition between the AFM and a staggered valence-bond solid (sVBS). By continuously varying a parameter, the sVBS–AFM and AFM–cVBS boundaries merge into a direct sVBS–cVBS transition. Unlike previous models with putative deconfined AFM–cVBS transitions, e.g., the standard J–Q model, in our extended J–Q model with competing cVBS and sVBS inducing terms the transition can be tuned from continuous to first-order. We find the expected emergent U(1) symmetry of the microscopically Z 4 symmetric cVBS order parameter when the transition is continuous. In contrast, when the transition changes to first-order, the clock-like Z 4 fluctuations are absent and there is no emergent higher symmetry. We argue that the confined spinons in the sVBS phase are fracton-like. We also present results for an SU(3) symmetric model with a similar phase diagram. The new family of models can serve as a useful tool for further investigating open questions related to deconfined quantum criticality and its associated emergent symmetries.