Valence Bond Solid Phase Research Articles

Kekulé valence bond order in an extended Hubbard model on the honeycomb lattice with possible applications to twisted bilayer graphene

Using large-scale quantum Monte Carlo simulations, we exactly solve a model of Fermions hopping on the honeycomb lattice with cluster charge interactions, which has been proposed as an effective model with possible application to twisted bilayer graphene near half-filling. We find an interaction driven semimetal to insulator transition to an insulating phase consisting of a valence bond solid with Kekul\'e pattern. Finite size scaling reveals that the phase transition of the semimetal to Kekul\'e valence bond solid phase is continuous and belongs to chiral XY universality class.

Valence Bonds in Random Quantum Magnets: Theory and Application to YbMgGaO4

We analyze the effect of quenched disorder on spin-1/2 quantum magnets in which magnetic frustration promotes the formation of local singlets. Our results include a theory for 2d valence-bond solids subject to weak bond randomness, as well as extensions to stronger disorder regimes where we make connections with quantum spin liquids. We find, on various lattices, that the destruction of a valence-bond solid phase by weak quenched disorder leads inevitably to the nucleation of topological defects carrying spin-1/2 moments. This renormalizes the lattice into a strongly random spin network with interesting low-energy excitations. Similarly when short-ranged valence bonds would be pinned by stronger disorder, we find that this putative glass is unstable to defects that carry spin-1/2 magnetic moments, and whose residual interactions decide the ultimate low energy fate. Motivated by these results we conjecture Lieb-Schultz-Mattis-like restrictions on ground states for disordered magnets with spin-1/2 per statistical unit cell. These conjectures are supported by an argument for 1d spin chains. We apply insights from this study to the phenomenology of YbMgGaO$_4$, a recently discovered triangular lattice spin-1/2 insulator which was proposed to be a quantum spin liquid. We instead explore a description based on the present theory. Experimental signatures, including unusual specific heat, thermal conductivity, and dynamical structure factor, and their behavior in a magnetic field, are predicted from the theory, and compare favorably with existing measurements on YbMgGaO$_4$ and related materials.

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.

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.

Deconfined Quantum Criticality, Scaling Violations, and Classical Loop Models

Numerical studies of the N\'eel to valence-bond solid phase transition in 2D quantum antiferromagnets give strong evidence for the remarkable scenario of deconfined criticality, but display strong violations of finite-size scaling that are not yet understood. We show how to realise the universal physics of the Neel-VBS transition in a 3D classical loop model (this includes the interference effect that suppresses N\'eel hedgehogs). We use this model to simulate unprecedentedly large systems (of size $L\leq 512$). Our results are compatible with a direct continuous transition at which both order parameters are critical, and we do not see conventional signs of first-order behaviour. However, we find that the scaling violations are stronger than previously realised and are incompatible with conventional finite-size scaling over the size range studied, even if allowance is made for a weakly/marginally irrelevant scaling variable. In particular, different determinations of the anomalous dimensions $\eta_\text{VBS}$ and $\eta_\text{N\'eel}$ yield very different results. The assumption of conventional finite-size scaling gives estimates which drift to negative values at large $L$, in violation of unitarity bounds. In contrast, the behaviour of correlators on scales much smaller than $L$ is consistent with large positive anomalous dimensions. Barring an unexpected reversal in behaviour at still larger sizes, this implies that the transition, if continuous, must show unconventional finite-size scaling, e.g. from a dangerously irrelevant scaling variable. Another possibility is an anomalously weak first-order transition. By analysing the renormalisation group flows for the non-compact $CP^{n-1}$ model ($n$-component Abelian Higgs model) between two and four dimensions, we give the simplest scenario by which an anomalously weak first-order transition can arise without fine-tuning of the Hamiltonian.

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.

Two-legSU(2n)spin ladder: A low-energy effective field theory approach

We present a field theory analysis of a model of two SU(2n)-invariant magnetic chains coupled by a generic interaction preserving time reversal and inversion symmetry. Contrary to the SU(2)-invariant case the zero-temperature phase diagram of such two-leg spin ladder does not contain topological phases. Only generalized Valence Bond Solid phases are stabilized when n>1 with different wave vectors and ground-state degeneracies. In particular, we find a phase which is made of a cluster of 2n spins put in an SU(2n) singlet state. For n=3, this cluster phase is relevant to ytterbium ultracold atoms, with an emergent SU(6) symmetry, loaded in double well optical lattice.

Thermal phase transition of generalized Heisenberg models forSU(N)spins on square and honeycomb lattices

We investigate thermal phase transitions to a valence-bond solid phase in $\mathrm{SU}(N)$ Heisenberg models with four- or six-body interactions on a square or honeycomb lattice, respectively. In both cases, a thermal phase transition occurs that is accompanied by rotational symmetry breaking of the lattice. We perform quantum Monte Carlo calculations in order to clarify the critical properties of the models. The estimated critical exponents indicate that the universality classes of the square- and honeycomb-lattice cases are identical to those of the classical $XY$ model with a ${Z}_{4}$ symmetry-breaking field and the three-state Potts model, respectively. In the square-lattice case, the thermal exponent, $\ensuremath{\nu}$, monotonically increases as the system approaches the quantum critical point, while the values of the critical exponents, $\ensuremath{\eta}$ and $\ensuremath{\gamma}/\ensuremath{\nu}$, remain constant. From a finite-size scaling analysis, we find that the system exhibits weak universality, because the ${Z}_{4}$ symmetry-breaking field is always marginal. In contrast, $\ensuremath{\nu}$ in the honeycomb-lattice case exhibits a constant value, even in the vicinity of the quantum critical point, because the ${Z}_{3}$ field remains relevant in the SU(3) and SU(4) cases.

Plaquette valence-bond solid in the square-latticeJ1-J2antiferromagnet Heisenberg model: A bond operator approach

We study the plaquette valence-bond solid phase of the spin-$1/2$${J}_{1}$-${J}_{2}$ antiferromagnet Heisenberg model on the square lattice within the bond-operator theory. We start by considering four $S=1/2$ spins on a single plaquette and determine the bond operator representation for the spin operators in terms of singlet, triplet, and quintet boson operators. The formalism is then applied to the ${J}_{1}$-${J}_{2}$ model and an effective interacting boson model in terms of singlets and triplets is derived. The effective model is analyzed within the harmonic approximation and the previous results of Zhitomirsky and Ueda [Phys. Rev. B 54, 9007 (1996)] are recovered. By perturbatively including cubic (triplet-triplet-triplet and singlet-triplet-triplet) and quartic interactions, we find that the plaquette valence-bond solid phase is stable within the parameter region $0.34<{J}_{2}/{J}_{1}<0.59$, which is narrower than the harmonic one. Differently from the harmonic approximation, the excitation gap vanishes at both critical couplings ${J}_{2}=0.34{J}_{1}$ and ${J}_{2}=0.59{J}_{1}$. Interestingly, for ${J}_{2}<0.48{J}_{1}$, the excitation gap corresponds to a singlet-triplet excitation at the $\ensuremath{\Gamma}$ point while, for ${J}_{2}>0.48{J}_{1}$, it is related to a singlet-singlet excitation at the $\mathbf{X}=(\ensuremath{\pi}/2,0)$ point of the tetramerized Brillouin zone.

Possibility of deconfined criticality in SU(N) Heisenberg models at smallN

To examine the validity of the scenario of the deconfined critical phenomena, we carry out a quantum Monte Carlo simulation for the SU($N$) generalization of the Heisenberg model with four-body and six-body interactions. The quantum phase transition between the SU($N$) N\'eel and valence-bond solid phases is characterized for $N=2$, 3, and 4 on the square and honeycomb lattices. While finite-size scaling analysis works well up to the maximum lattice size ($L=256$) and indicates the continuous nature of the phase transition, a clear systematic change towards the first-order transition is observed in the estimates of the critical exponent $y\ensuremath{\equiv}1/\ensuremath{\nu}$ as the system size increases. We also confirm the relevance of a squared valence-bond solid field ${\ensuremath{\Psi}}^{2}$ for the SU(3) model.

UNCONVENTIONAL QUANTUM CRITICAL POINTS

In this paper we review the theory of unconventional quantum critical points that are beyond the Landau's paradigm. Three types of unconventional QCPs will be discussed: (1) The transition between topological order and semiclassical spin ordered phase; (2) The transition between topological order and valence bond solid phase; (3) The direct second order transition between different competing orders. We focus on the field theory and universality class of these unconventional QCPs. Relation of these QCPs with recent numerical simulations and experiments on quantum frustrated magnets are also discussed.

Frustration in the Kondo lattice model: Local versus extended singlet phases

We present a theoretical study of the frustrated Kondo lattice model on a Shastry-Sutherland-type lattice. Using a mean-field decoupling on both the Kondo and intersite exchange interactions, we study three different phases, an antiferromagnetic (AF) phase without Kondo effect, a Kondo (K) phase without magnetic order, and finally a valence bond solid (VBS) phase without magnetic order and Kondo effect. A phase diagram is obtained giving the stability region of the three phases, as a function of the Kondo parameter ${J}_{K}$ and the frustration ratio $J/{J}^{\ensuremath{'}}$ of the two exchange interactions on the Shastry-Sutherland lattice. This phase diagram can account for the change under pressure from a nonmagnetic Kondo phase to an AF phase and to a completely different nonmagnetic VBS phase occurring in some ytterbium compounds such as Yb${}_{2}$Pd${}_{2}$Sn.

Quantum computational capability of a 2D valence bond solid phase

Quantum phases of naturally-occurring systems exhibit distinctive collective phenomena as manifestation of their many-body correlations, in contrast to our persistent technological challenge to engineer at will such strong correlations artificially. Here we show theoretically that quantum correlations exhibited in the 2D valence bond solid phase of a quantum antiferromagnet, modeled by Affleck, Kennedy, Lieb, and Tasaki (AKLT) as a precursor of spin liquids and topological orders, are sufficiently complex yet structured enough to simulate universal quantum computation when every single spin can be measured individually. This unveils that an intrinsic complexity of naturally-occurring 2D quantum systems—which has been a long-standing challenge for traditional computers—could be tamed as a computationally valuable resource, even if we are limited not to create newly entanglement during computation. Our constructive protocol leverages a novel way to herald the correlations suitable for deterministic quantum computation through a random sampling, and may be extensible to other ground states of various 2D valence bond phases beyond the AKLT state.

Deconfined criticality for theS=1spin model on the spatially anisotropic triangular lattice

The quantum $S=1$ spin model on the spatially anisotropic triangular lattice is investigated numerically. The nematic and valence-bond-solid (VBS) phases are realized by adjusting the spatial anisotropy and the biquadratic interaction. The phase transition between the nematic and VBS phases is expected to be a continuous one with unconventional critical indices (deconfined criticality). The geometrical character (spatial anisotropy) is taken into account by imposing the screw-boundary condition (Novotny's method). Diagonalizing the finite-size cluster with $N\ensuremath{\leqslant}20$ spins, we observe a clear indication of continuous phase transition. The correlation-length critical exponent is estimated as $\ensuremath{\nu}=0.92(10)$.

Impurity spin texture at a deconfined quantum critical point

The spin texture surrounding a non-magnetic impurity in a quantum antiferromagnet is a sensitive probe of the novel physics of a class of quantum phase transitions between a Neel ordered phase and a valence bond solid phase in square lattice S=1/2 antiferromagnets. Using a newly developed T=0 Quantum Monte Carlo technique, we compute this spin texture at these transitions and find that it does not obey the universal scaling form expected at a scale invariant quantum critical point. We also identify the precise logarithmic form of these scaling violations. Our results are expected to yield important clues regarding the probable theory of these unconventional transitions.

Z4to U(1) crossover of the order-parameter symmetry in a two-dimensional valence-bond solid

We discuss ground-state projector simulations of a modified two-dimensional $S=1/2$ Heisenberg model in the valence bonds basis. Tuning matrix elements corresponding to the diagonal and off-diagonal terms in the quantum dimer model, we show that there is a quantum phase transition from the antiferromagnet into a columnar valence-bond solid (VBS). There are no signs of discontinuities, suggesting a continuous or very weak first-order transition. The ${\text{Z}}_{4}$-symmetric VBS order parameter exhibits an emergent U(1) symmetry as the phase transition is approached. We extract the associated length-scale governing the $\text{U}(1)\ensuremath{-}{\text{Z}}_{4}$ cross-over inside the VBS phase.

Valence bond solid phases on deformed kagome lattices: Application toRb2Cu3SnF12

Motivated by a recent experiment on ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$, where spin-1/2 ${\text{Cu}}^{2+}$ moments reside on the layers of kagome-like lattices, we investigate quantum ground states of the antiferromagnetic Heisenberg model on a series of deformed kagome lattices. The deformation is characterized by a weaker exchange coupling $\ensuremath{\alpha}J$ on certain lattice links appropriate for ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$ with $\ensuremath{\alpha}=1$ corresponding to the ideal kagome lattice. In particular, we study possible valence bond solid phases using the perturbation theory around isolated dimer limits, dimer series expansion, and self-consistent bond operator mean-field theory. It is shown that the valence bond solid phase with a 36-site unit cell of the ideal kagome lattice is quite sensitive to a small lattice distortion as the kind discovered in ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$. As a result, we find that a more likely quantum ground state in ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$ is the valence bond solid phase with a 12-site unit cell, where six dimers form a pinwheel structure, leading to strong modification of the elementary triplet and singlet excitation spectra in the deformed kagome lattices.

Valence bond solid state induced by impurity frustration inCr8Ni

We provide a physically meaningful picture of the nature of the ground state of the ${\text{Cr}}_{8}\text{Ni}$ compound in the regime where it is a spin singlet. According to this picture, the anisotropy of the Ni atom in the Cr ring induces a dimerization in the molecule that makes the ground state to stabilize in a valence bond solid phase of virtual spins. We characterize rigorously this phase by means of a particular nonlocal order parameter that denoted the generalized string order parameter. In the completely antiferromagnetic regime, the system becomes frustrated. We have performed a numerical real-time evolution study of the correlations between the spin of the Ni impurity and the rest of the spins in order to show the reaction of the system under this frustration.

Theory of Néel and Valence-Bond Solid Phases on the Kagome Lattice of Zn Paratacamite

Recently, neutron scattering data on powder samples of Zn paratacamite, ZnxCu4-x(OH)6Cl2, with small Zn concentration has been interpreted as evidence for valence-bond solid and Néel ordering [S.-H. Lee, Nat. Mater. 6, 853 (2007)10.1038/nmat1986]. We study the classical and quantum Heisenberg models on the distorted kagome lattice appropriate for Zn paratacamite at low Zn doping. Our theory naturally leads to the emergence of the valence-bond solid and collinear magnetic order at zero temperature. Implications of our results to the existing experiments are discussed. We also suggest future inelastic neutron and x-ray scattering experiments that can test our predictions.

Mott Transition in a Valence-Bond Solid Insulator with a Triangular Lattice

We have investigated the Mott transition in a quasi-two-dimensional Mott insulator EtMe{3}P[Pd(dmit){2}]{2} with a spin-frustrated triangular-lattice in hydrostatic pressure and magnetic-field [Et and Me denote C2H5 and CH3, respectively, and Pd(dmit){2} (dmit=1,3-dithiole-2-thione-4,5-dithiolate,dithiolate) is an electron-acceptor molecule]. In the pressure-temperature (P-T) phase diagram, a valence-bond solid phase is found to neighbor the superconductor and metal phases at low temperatures. The profile of the phase diagram is common to those of Mott insulators with antiferromagnetic order. In contrast to the antiferromagnetic Mott insulators, the resistivity in the metallic phase exhibits anomalous temperature dependence, rho=rho{0}+AT(2.5).