Valence Bond Solid Research Articles

U(1) -symmetric infinite projected entangled-pair states study of the spin-1/2 square J1−J2 Heisenberg model

We develop an improved variant of $U(1)$-symmetric infinite projected entangled-pair state (iPEPS) ansatz to investigate the ground state phase diagram of the spin-$1/2$ square $J_{1}-J_{2}$ Heisenberg model. In order to improve the accuracy of the ansatz, we discuss a simple strategy to select automatically relevant symmetric sectors and also introduce an optimization method to treat second-neighbor interactions more efficiently. We show that variational ground-state energies of the model obtained by the $U(1)$-symmetric iPEPS ansatz (for a fixed bond dimension $D$) set a better upper bound, improving previous tensor-network-based results. By studying the finite-$D$ scaling of the magnetically order parameter, we find a N\'{e}el phase for $J_2/J_1<0.53$. For $0.53<J_2/J_1<0.61$, a non-magnetic columnar valence bond solid (VBS) state is established as observed by the pattern of local bond energy. The divergent behavior of correlation length $\xi \sim D^{1.2}$ and vanishing order parameters are consistent with a deconfined N\'{e}el-to-VBS transition at $J^{c_1}_{2}/J_1=0.530(5)$, where estimated critical anomalous exponents are $\eta_{s} \sim 0.6$ and $\eta_{d} \sim 1.9$ for spin and dimer correlations respectively. We show that the associated VBS order parameter monotonically increases with $J_2/J_1$ and finally a first-order quantum phase transition takes place at $J^{c_2}_{2}/J_1=0.610(2)$ to the conventional Stripe phase. We compare our results with earlier DMRG and PEPS studies and suggest future directions for resolving remaining issues.

Walls, anomalies, and deconfinement in quantum antiferromagnets

We consider the Abelian-Higgs model in 2+1 dimensions with instanton-monopole defects. This model is closely related to the phases of quantum anti-ferromagnets. In the presence of $\mathbb{Z}_2$ preserving monopole operators, there are two confining ground states in the monopole phase, corresponding to the Valence Bond Solid (VBS) phase of quantum magnets. We show that the domain-wall carries a 't Hooft anomaly in this case. The anomaly can be saturated by, e.g., charge-conjugation breaking on the wall or by the domain wall theory becoming gapless (a gapless model that saturates the anomaly is $SU(2)_1$ WZW). Either way the fundamental scalar particles (i.e. spinons) which are confined in the bulk are deconfined on the domain-wall. This $\mathbb{Z}_2$ phase can be realized either with spin-1/2 on a rectangular lattice, or spin-1 on a square lattice. In both cases the domain wall contains spin-1/2 particles (which are absent in the bulk). We discuss the possible relation to recent lattice simulations of domain walls in VBS. We further generalize the discussion to Abrikosov-Nielsen-Olsen (ANO) vortices in a dual superconductor of the Abelian-Higgs model in 3+1 dimensions, and to the easy-plane limit of anti-ferromagnets. In the latter case the wall can undergo a variant of the BKT transition (consistent with the anomalies) while the bulk is still gapped. The same is true for the easy-axis limit of anti-ferromagnets. We also touch upon some analogies to Yang-Mills theory.

Fermionic Spinon Theory of Square Lattice Spin Liquids near the Néel State

Quantum fluctuations of the N\'eel state of the square lattice antiferromagnet are usually described by a $\mathbb{CP}^1$ theory of bosonic spinons coupled to a U(1) gauge field, and with a global SU(2) spin rotation symmetry. Such a theory also has a confining phase with valence bond solid (VBS) order, and upon including spin-singlet charge 2 Higgs fields, deconfined phases with $\mathbb{Z}_2$ topological order possibly intertwined with discrete broken global symmetries. We present dual theories of the same phases starting from a mean-field theory of fermionic spinons moving in $\pi$-flux in each square lattice plaquette. Fluctuations about this $\pi$-flux state are described by 2+1 dimensional quantum chromodynamics (QCD$_3$) with a SU(2) gauge group and $N_f=2$ flavors of massless Dirac fermions. It has recently been argued by Wang et al. (arXiv:1703.02426) that this QCD$_3$ theory describes the N\'eel-VBS quantum phase transition. We introduce adjoint Higgs fields in QCD$_3$, and obtain fermionic dual descriptions of the phases with $\mathbb{Z}_2$ topological order obtained earlier using the bosonic $\mathbb{CP}^1$ theory. We also present a fermionic spinon derivation of the monopole Berry phases in the U(1) gauge theory of the VBS state. The global phase diagram of these phases contains multi-critical points, and our results imply new boson-fermion dualities between critical gauge theories of these points.

Fermion-induced quantum critical points in three-dimensional Weyl semimetals

Fermion-induced quantum critical points (FIQCPs) were recently discovered at the putatively first-order transitions between two-dimensional (2D) Dirac semimetals and the Kekule valence bond solids on the honeycomb lattice by sign-free quantum Monte Carlo simulations [Nature Communications 8, 314, (2017)]. Here, we investigate possible FIQCP in 3D topological Weyl semimetals at a $Z_3$ symmetry-breaking transition that is putatively first-order according to the Landau criterion. We construct a lattice model featuring 3D double-Weyl fermions (monopole charges $\pm$2) and we show that $Z_3$ nodal-nematic transitions occur under finite Hubbard interaction. Furthermore, using renormalization-group analysis, we identify such a transition as a genuine FIQCP where the cubic terms are irrelevant and an enlarged U(1) symmetry emerges at low energy. We further discuss quantum critical behaviors and experimental signatures of such FIQCPs in 3D double-Weyl semimetals.

Entanglement properties of the two-dimensional SU(3) Affleck-Kennedy-Lieb-Tasaki state

Two-dimensional (spin-$2$) Affleck-Kennedy-Lieb-Tasaki (AKLT) type valence bond solids on the square lattice are known to be symmetry protected topological (SPT) gapped spin liquids [Shintaro Takayoshi, Pierre Pujol, and Akihiro Tanaka Phys. Rev. B ${\bf 94}$, 235159 (2016)]. Using the projected entangled pair state (PEPS) framework, we extend the construction of the AKLT state to the case of $SU(3)$, relevant for cold atom systems. The entanglement spectrum is shown to be described by an alternating $SU(3)$ chain of "quarks" and "antiquarks", subject to exponentially decaying (with distance) Heisenberg interactions, in close similarity with its $SU(2)$ analog. We discuss the SPT feature of the state.

Competition between spin liquids and valence-bond order in the frustrated spin- 12 Heisenberg model on the honeycomb lattice

Using variational wave functions and Monte Carlo techniques, we study the antiferromagnetic Heisenberg model with first-neighbor $J_1$ and second-neighbor $J_2$ 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 $J_2/J_1$, we find strong evidence for a continuous transition to a nonmagnetic phase at $J_2/J_1 \approx 0.23$. Close to the transition point, the Gutzwiller-projected uniform resonating valence bond state gives an excellent approximation to the exact ground-state energy. For $0.23 \lesssim J_2/J_1 \lesssim 0.4$, a gapless $Z_2$ 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 $J_2/J_1 \gtrsim 0.3$. Finally, for $0.36 \lesssim J_2/J_1 \le 0.5$, 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.

Fermion-induced quantum critical points

A unified theory of quantum critical points beyond the conventional Landau–Ginzburg–Wilson paradigm remains unknown. According to Landau cubic criterion, phase transitions should be first-order when cubic terms of order parameters are allowed by symmetry in the Landau–Ginzburg free energy. Here, from renormalization group analysis, we show that second-order quantum phase transitions can occur at such putatively first-order transitions in interacting two-dimensional Dirac semimetals. As such type of Landau-forbidden quantum critical points are induced by gapless fermions, we call them fermion-induced quantum critical points. We further introduce a microscopic model of SU(N) fermions on the honeycomb lattice featuring a transition between Dirac semimetals and Kekule valence bond solids. Remarkably, our large-scale sign-problem-free Majorana quantum Monte Carlo simulations show convincing evidences of a fermion-induced quantum critical points for N = 2, 3, 4, 5 and 6, consistent with the renormalization group analysis. We finally discuss possible experimental realizations of the fermion-induced quantum critical points in graphene and graphene-like materials.

Deconfined quantum criticality in SU(3) antiferromagnets on the triangular lattice

We propose field theories for a deconfined quantum critical point in SU(3) antiferromagnets on the triangular lattice. In particular we consider the continuous transition between a magnetic, three-sublattice color-ordered phase and a trimerized SU(3) singlet phase. Starting from the magnetically ordered state we derive a critical theory in terms of fractional bosonic degrees of freedom, in close analogy to the well-developed description of the SU(2) N\'eel---valence bond solid (VBS) transition on the square lattice. Our critical theory consists of three coupled $C{P}^{2}$ models and we study its fixed point structure using a functional renormalization group approach in a suitable large $N$ limit. We find a stable critical fixed point and estimate its critical exponents, thereby providing an example of deconfined criticality beyond the universality class of the $C{P}^{N}$ model. In addition we present a complementary route towards the critical field theory by studying topological defects of the trimerized SU(3) singlet phase.

Phase diagram of the Kondo-Heisenberg model on honeycomb lattice with geometrical frustration

We calculated the phase diagram of the Kondo-Heisenberg model on a two-dimensional honeycomb lattice with both nearest-neighbor and next-nearest-neighbor antiferromagnetic spin exchanges, to investigate the interplay between RKKY and Kondo interactions in the presence of magnetic frustration. Within a mean-field decoupling technology in slave-fermion representation, we derived the zero-temperature phase diagram as a function of Kondo coupling Jk and frustration strength Q. The geometrical frustration can destroy the magnetic order, driving the original antiferromagnetic (AF) phase to non-magnetic valence bond solids (VBS). In addition, we found two distinct VBS. As Jk is increased, a phase transition from AF to Kondo paramagnetic (KP) phase occurs, without the intermediate phase coexisting AF order with Kondo screening found in square lattice systems. In the KP phase, the enhancement of frustration weakens the Kondo screening effect, resulting in a phase transition from KP to VBS. We also found a process to recover the AF order from VBS by increasing Jk in a wide range of frustration strength. Our work may provide predictions for future experimental observation of new processes of quantum phase transitions in frustrated heavy-fermion compounds.

Emergence of XY-like phase in deformed spin-32AKLT systems

Affleck, Kennedy, Lieb and Taski (AKLT) constructed an exemplary spin-3/2 valence-bond solid (VBS) state on the hexagonal lattice, which is the ground state of an isotropic quantum antiferromagnet and possesses no spontaneous magnetization but finite correlation length. This is distinct from the N\'eel ordered state of the spin-3/2 Heisenberg model on the same lattice. Niggemann, Kl\"umper and Zittartz then generalized the AKLT Hamiltonian to one family invariant under spin rotation about the z-axis. The ground states of this family can be parameterized by a single parameter that deforms the AKLT state, and this system exhibits a quantum phase transition between the VBS and N\'eel phases, as the parameter increases from the AKLT point to large anisotropy. We investigate the opposite regime when the parameter decreases from the AKLT point and find that there appears to be a Berezinskii-Kosterlitz-Thouless-like transition from the VBS phase to an XY phase. Such a transition also occurs in the deformation of other types of AKLT states with triplet-bond constructions on the same lattice. However, we do not find such an XY-like phase in the deformed AKLT models on other trivalent lattices, such as square-octagon, cross and star lattices. On the star lattice, the deformed family of AKLT states remain in the same phase as the isotropic AKLT state throughout the whole region of the parameter. However, for two triplet-bond generalizations, the triplet VBS phase is sandwiched between two ferromagnetic phases (for large and small deformation parameters, respectively), which are characterized by spontaneous magnetizations along different axes. Along the way, we also discuss how various deformed AKLT states can be used for the purpose of universal quantum computation.

Negativity in the generalized Valence Bond Solid state

Using a graphical presentation of the spin $S$ one dimensional Valence Bond Solid (VBS) state, based on the representation theory of the $SU(2)$ Lie-algebra of spins, we compute the spectrum of a mixed state reduced density matrix. This mixed state of two blocks of spins $A$ and $B$ is obtained by tracing out the spins outside $A$ and $B$, in the pure VBS state density matrix. We find in particular that the negativity of the mixed state is non-zero only for adjacent subsystems. The method introduced here can be generalized to the computation of entanglement properties in Levin-Wen models, that possess a similar algebraic structure to the VBS state in the groundstate.

Effective field theory for one-dimensional valence-bond-solid phases and their symmetry protection

We investigate valence-bond-solid (VBS) phases in one-dimensional spin systems by an effective field theory developed by Schulz [Phys. Rev. B 34, 6372 (1986)]. While the distinction among the VBS phases are often understood in terms of different entanglement structures protected by certain symmetries, we adopt a different but more fundamental point of view, that is, different VBS phases are separated by a gap closing under certain symmetries. In this way, the effective field theory reproduces the known three symmetries: time reversal, bond-centered inversion, and dihedral group of spin rotations. It also predicts that there exists another symmetry: site-centered inversion combined with a spin rotation by $\pi$. We demonstrate that the last symmetry gives distinct trivial phases, which cannot be characterized by their entanglement structure, in terms of a simple perturbative analysis in a spin chain. We also discuss several applications of the effective field theory to the phase transitions among VBS phases in microscopic models and an extension of the Lieb-Schultz-Mattis theorem to non-translational-invariant systems.

Quantum antiferromagnetic Heisenberg half-odd-integer spin model as the entanglement Hamiltonian of the integer-spin Affleck-Kennedy-Lieb-Tasaki states

Applying a symmetric bulk bipartition to the one-dimensional Affleck-Kennedy-Lieb-Tasaki valence-bond solid (VBS) states for the integer spin-$S$ Haldane gapped phase, we can create an array of fractionalized spin-$S$/2 edge states with the super unit cell $l$ in the reduced bulk system, and the topological properties encoded in the VBS wave functions can be revealed. The entanglement Hamiltonian (EH) with even $l$ corresponds to the quantum antiferromagnetic Heisenberg spin-$S$/2 model. For the even integer spins, the EH still describes the Haldane gapped phase. For the odd integer spins, however, the EH just corresponds to the quantum antiferromagnetic Heisenberg half-odd integer-spin model with spinon excitations, characterizing the critical point separating the topological Haldane phase from the trivial gapped phase. Our results thus demonstrate that the topological bulk property not only determines its fractionalized edge states but also the quantum criticality associated with the topological phase, where the elementary excitations are precisely those fractionalized edge degrees of freedom confined in the bulk of the topological phase.

Z2gauge theory for valence bond solids on the kagome lattice

We present an effective $\mathbb{Z}_2$ gauge theory that captures various competing phases in spin-1/2 kagome lattice antiferromagnets: the topological $\mathbb{Z}_2$ spin liquid (SL) phase, and the 12-site and 36-site valence bond solid (VBS) phases. Our effective theory is a generalization of the recent $\mathbb{Z}_2$ gauge theory proposed for SL phases by Wan and Tchernyshyov. In particular, we investigate possible VBS phases that arise from vison condensations in the SL. In addition to the 12-site and 36-site VBS phases, there exists 6-site VBS that is closely related to the symmetry-breaking valence bond modulation patterns observed in the recent density matrix renormalization group simulations. We find that our results have remarkable consistency with a previous study using a differnt $\mathbb{Z}_2$ gauge theory. Motivated by the lattice geometry in the recently reported vanadium oxyfluoride kagome antiferromagnet, our gauge theory is extended to incorporate lowered symmetry by inequivalent up- and down-triangles. We investigate effects of this anisotropy on the 12-site, 36-site, and 6-site VBS phases. The 12-site VBS is stable to anisotropy while the 36-site VBS undergoes severe dimer melting. Interestingly, any analogue of the 6-site VBS is not found in this approach. We discuss the implications of these findings and also compare the results with a different type of $\mathbb{Z}_2$ gauge theory used in previous studies.

Global-to-local incompatibility, monogamy of entanglement, and ground-state dimerization: Theory and observability of quantum frustration in systems with competing interactions

Frustration in quantum many body systems is quantified by the degree of incompatibility between the local and global orders associated, respectively, to the ground states of the local interaction terms and the global ground state of the total many-body Hamiltonian. This universal measure is bounded from below by the ground-state bipartite block entanglement. For many-body Hamiltonians that are sums of two-body interaction terms, a further inequality relates quantum frustration to the pairwise entanglement between the constituents of the local interaction terms. This additional bound is a consequence of the limits imposed by monogamy on entanglement shareability. We investigate the behavior of local pair frustration in quantum spin models with competing interactions on different length scales and show that valence bond solids associated to exact ground-state dimerization correspond to a transition from generic frustration, i.e. geometric, common to classical and quantum systems alike, to genuine quantum frustration, i.e. solely due to the non-commutativity of the different local interaction terms. We discuss how such frustration transitions separating genuinely quantum orders from classical-like ones are detected by observable quantities such as the static structure factor and the interferometric visibility.

1D valence bond solids in a magnetic field

A Valence bond solid (VBS) is a nonmagnetic, long-range ordered state of a quantum spin system where local spin singlets are formed in some regular pattern. We here study the competition between VBS order and a fully polarized ferromagnetic state as function of an external magnetic field in a one-dimensional extended Heisenberg model—the J-Q2 model— using stochastic series expansion (SSE) quantum Monte Carlo simulations with directed loop updates. We discuss the ground state phase diagram.

Entanglement of an alternating bipartition in spin chains: relation with classical integrable models

We study the entanglement properties of a class of ground states defined by matrix product states, which are generalizations of the valence bond solid (VBS) state in one dimension. It is shown that the transfer matrix of these states can be related to representations of the Temperley–Lieb algebra, allowing an exact computation of Renyi entropy. For an alternating bipartition, we find that the Renyi entropy can be mapped to an eight vertex model partition function on a rotated lattice. We also show that for the VBS state, the Renyi entropy of the alternating partition is described by a critical field theory with central charge c = 1. The generalization to SU(n) VBS and its connection with a dimerization transition in the entanglement Hamiltonian is discussed.

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

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 multi-spin 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 ~ Q_2 >> J, we establish that the competition between the two different VBS orders stabilizes N\'eel order in a large swathe of the phase diagram even when J is the smallest energy-scale in the Hamiltonian. When Q_3 >> (Q_2,J) (Q_2 >> (Q_3,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 Q_2, and that critical properties along the entire phase boundary are well-characterized by critical exponents and amplitudes of the non-compact CP^1 (NCCP^1) theory of deconfined criticality, similar to what is observed on a square lattice. However, a surprising three-fold 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 four-fold 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.

Deconfined criticality for the two-dimensional quantum S = 1-spin model with the three-spin and biquadratic interactions

The criticality between the nematic and valence-bond-solid (VBS) phases was investigated for the two-dimensional quantum S = 1-spin model with the three-spin and biquadratic interactions by means of the numerical diagonalization method. It is expected that the criticality belongs to a novel universality class, the so-called deconfined criticality, accompanied with unconventional critical indices. In this paper, we incorporate the three-spin interaction, and adjust the (redundant) interaction parameter so as to optimize the finite-size behavior. Treating the finite-size cluster with N ≤ 20 spins, we estimate the correlation-length critical exponent as ν = 0.88(3).

Signatures of spin-triplet excitations in optical conductivity of valence bond solids

We show that the optical responses below the Mott gap can be used to probe the spin-triplet excitations in valence bond solid (VBS) phases in Mott insulators. The optical conductivity in this regime arises due to the electronic polarization mechanism via virtual electron-hopping processes. We apply this mechanism to the Hubbard model with spin–orbit couplings and/or the corresponding spin model with significant Dzyaloshinskii–Moriya (DM) interactions, and compute the optical conductivity of VBS states on both ideal and deformed Kagome lattices. In the case of the deformed Kagome lattice, we study the antiferromagnet Rb2Cu3SnF12 with the pinwheel VBS state. In case of the ideal Kagome lattice, we explore the optical conductivity signatures of the spin-triplet excitations for three VBS states with (1) a 12-site unit cell, (2) a 36-site unit cell with six-fold rotation symmetry, and (3) a 36-site unit cell with three-fold rotation symmetry, respectively. We find that increasing the DM interactions generally leads to broad and smooth features in the optical conductivity with interesting experimental consequences. The optical conductivity reflects the features of the spin-triplet excitations that can be measured in future experiments.