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AIP conference proceedings

From an Antiferromagnet to a Valence Bond Solid: Evidence for a First Order Phase Transition

Matthias Nyfeler, Fu-Jiun Jiang, U.‐J. Wiese, Shailesh Chandrasekharan A, Adolfo Avella, Ferdinando Mancini

Published Jan 1, 2009• 12 citations
Publisher

Abstract

Using a loop‐cluster algorithm we investigate the spin 12 Heisenberg antiferromagnet on a square lattice with exchange coupling J and a four‐spin interaction of strength Q. We confirm the existence of a phase transition separating antiferromagnetism at J/Q>Jc/Q from a valence bond solid (VBS) state at J/Q<Jc/Q. Although our Monte Carlo data are consistent with those of previous studies, we do not confirm the existence of a deconfined quantum critical point. Instead, using a flowgram method on lattices as large as 802, we find evidence for a weak first order phase transition. We also present a detailed study of the antiferromagnetic phase. For J/Q>Jc/Q the staggered magnetization, the spin stiffness, and the spinwave velocity of the antiferromagnet are determined by fitting Monte Carlo data to analytic results from the systematic low‐energy effective field theory for magnons. Finally, we also investigate the physics of the VBS state at J/Q<Jc/Q, and we show that long but finite antiferromagnetic correlations are still present.

DOI
10.1063/1.3225482

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Using a loop‐cluster algorithm we investigate the spin 12 Heisenberg antiferromagnet on a square lattice with exchange coupling J and a four‐spin interaction of strength Q. We confirm the existence of a phase transition separating antiferromagnetism at J/Q>Jc/Q from a valence bond solid (VBS) state at J/Q<Jc/Q. Although our Monte Carlo data are consistent with those of previous studies, we do not confirm the existence of a deconfined quantum critical point. Instead, using a flowgram method on lattices as large as 802, we find evidence for a weak first order phase transition. We also present a detailed study of the antiferromagnetic phase. For J/Q>Jc/Q the staggered magnetization, the spin stiffness, and the spinwave velocity of the antiferromagnet are determined by fitting Monte Carlo data to analytic results from the systematic low‐energy effective field theory for magnons. Finally, we also investigate the physics of the VBS state at J/Q<Jc/Q, and we show that long but finite antiferromagnetic correlations are still present.
Using a loop–cluster algorithm we investigate the spin- Heisenberg antiferromagnet on a square lattice with exchange coupling J and an additional four-spin interaction of strength Q . We confirm the existence of a phase transition separating antiferromagnetism at J / Q > J c / Q from a valence bond solid (VBS) state at J / Q < J c / Q . Although our Monte Carlo data are consistent with those of previous studies, we do not confirm the existence of a deconfined quantum critical point. Instead, using a flowgram method on lattices as large as 80 2 , we find evidence for a weak first-order phase transition. We also present a detailed study of the antiferromagnetic phase. For J / Q > J c / Q the staggered magnetization, the spin stiffness and the spinwave velocity of the antiferromagnet are determined by fitting Monte Carlo data to analytic results from the systematic low-energy effective field theory for magnons. Finally, we also investigate the physics of the VBS state at J / Q < J c / Q and we show that long but finite antiferromagnetic correlations are still present.
We discuss zero‐temperature phase transititions from an antiferromagnetic ground state into a valence‐bond‐solid (VBS) in two different square‐lattice quantum spin models. In one limit these models reduce to the standard S = 1/2 XY and Heisenberg models, respectively, which have long‐range antiferromagnetic order at T = 0. Introducing particular types of four‐spin interactions, amenable to quantum Monte Carlo (QMC) simulation without negative‐sign problems, drives phase transitions into VBS states with broken Z4 symmetry. It has recently been argued that continuous quantum phase transitions of this nature represent a new class of deconfined quantum‐critical points [Senthil et al., Science 303, 1490 (2004)], which are not captured within the standard Ginzburg‐Landau framework of phase transitions. Here we discuss a QMC study aimed at accurately characterizing the transition in the XY model. We find some evidence that the transition is actually weakly first‐order, but other scenarios, such as a continuous transition violating hyperscaling, also cannot be completely ruled out. For the Heisenberg model with four‐spin interactions we have confirmed that a VBS state exists. Preliminary finite‐size scaling results show consistency with a continuous transition into the Néel state, with dynamic exponent z = 1. This model is thus a candidate for deconfined quantum criticality.
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 ${Q}_{3}\ensuremath{\sim}{Q}_{2}\ensuremath{\gg}J$, 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 JJJ 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 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 perform an in-depth investigation of the phase diagram of the ${J}_{1}\ensuremath{-}{J}_{2}$ Heisenberg model on the square lattice. We take advantage of density matrix renormalization group and fully augmented matrix product states methods and reach unprecedented accuracy with large bond dimensions. We utilize excited-level crossing analysis to pinpoint the phase transition points. It was believed before that there exists a narrow spin liquid phase sandwiched by the N\'eel antiferromagnetic (AFM) and valence bond solid (VBS) phases. Through careful finite-size scaling of the level crossing points, we find a direct phase transition between the N\'eel AFM and VBS phases at J2/J1=0.535(3){J}_{2}/{J}_{1}=0.535(3)J2​/J1​=0.535(3), suggesting the absence of an intermediate spin liquid phase. We also provide accurate results for ground-state energies for a variety of sizes, from which we find that the transition between the N\'eel AFM and VBS phases is continuous. These results indicate the existence of a deconfined quantum critical point at J2/J1=0.535(3){J}_{2}/{J}_{1}=0.535(3)J2​/J1​=0.535(3) in the model. From the crossing of the first derivative of the energies with J2{J}_{2}J2​ for different sizes, we also determine the precise location of the first-order phase transition between the VBS and stripe AFM phases at J2/J1=0.610(5){J}_{2}/{J}_{1}=0.610(5)J2​/J1​=0.610(5).
Using the coupled cluster method for high orders of approximation and complementary exact diagonalization studies we investigate the ground state properties of the spin-1/2 J1−−J2{J}_{1}--{J}_{2}J1​−−J2​ frustrated Heisenberg antiferromagnet on the square lattice. We have calculated the ground state energy, the magnetic order parameter, the spin stiffness, and several generalized susceptibilities to probe magnetically disordered quantum valence-bond phases. We have found that the quantum critical points for both the N\'eel and collinear orders are ${J}_{2}^{c1}\ensuremath{\approx}(0.44\ifmmode\pm\else\textpm\fi{}0.01){J}_{1}$ and ${J}_{2}^{c2}\ensuremath{\approx}(0.59\ifmmode\pm\else\textpm\fi{}0.01){J}_{1}$, respectively, which are in good agreement with the results obtained by other approximations. In contrast to the recent study by [Sirker et al. Phys. Rev. B 73, 184420 (2006)], our data do not provide evidence for the transition from the N\'eel to the valence-bond solid state to be first order. Moreover, our results are in favor of the deconfinement scenario for that phase transition. We also discuss the nature of the magnetically disordered quantum phase.
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.