Valence-bond Crystalline Research Articles

High-order study of the quantum critical behavior of a frustrated spin- 12 antiferromagnet on a stacked honeycomb bilayer

We study a frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{3}$--$J_{1}^{\perp}$ Heisenberg antiferromagnet on an $AA$-stacked bilayer honeycomb lattice. In each layer we consider nearest-neighbor (NN), next-nearest-neighbor, and next-next-nearest-neighbor antiferromagnetic (AFM) exchange couplings $J_{1}$, $J_{2}$, and $J_{3}$, respectively. The two layers are coupled with an AFM NN exchange coupling $J_{1}^{\perp}\equiv\delta J_{1}$. The model is studied for arbitrary values of $\delta$ along the line $J_{3}=J_{2}\equiv\alpha J_{1}$ that includes the most highly frustrated point at $\alpha=\frac{1}{2}$, where the classical ground state is macroscopically degenerate. The coupled cluster method is used at high orders of approximation to calculate the magnetic order parameter and the triplet spin gap. We are thereby able to give an accurate description of the quantum phase diagram of the model in the $\alpha\delta$ plane in the window $0 \leq \alpha \leq 1$, $0 \leq \delta \leq 1$. This includes two AFM phases with N\'eel and striped order, and an intermediate gapped paramagnetic phase that exhibits various forms of valence-bond crystalline order. We obtain accurate estimations of the two phase boundaries, $\delta = \delta_{c_{i}}(\alpha)$, or equivalently, $\alpha = \alpha_{c_{i}}(\delta)$, with $i=1$ (N\'eel) and 2 (striped). The two boundaries exhibit an "avoided crossing" behavior with both curves being reentrant.

Ground-state phases of the spin-1J1−J2Heisenberg antiferromagnet on the honeycomb lattice

We study the zero-temperature quantum phase diagram of a spin-1 Heisenberg antiferromagnet on the honeycomb lattice with both nearest-neighbor exchange coupling $J_{1}>0$ and frustrating next-nearest-neighbor coupling $J_{2} \equiv \kappa J_{1} > 0$, using the coupled cluster method implemented to high orders of approximation, and based on model states with different forms of classical magnetic order. For each we calculate directly in the bulk thermodynamic limit both ground-state low-energy parameters (including the energy per spin, magnetic order parameter, spin stiffness coefficient, and zero-field uniform transverse magnetic susceptibility) and their generalized susceptibilities to various forms of valence-bond crystalline (VBC) order, as well as the energy gap to the lowest-lying spin-triplet excitation. In the range $0 < \kappa < 1$ we find evidence for four distinct phases. Two of these are quasiclassical phases with antiferromagnetic long-range order, one with 2-sublattice N\'{e}el order for $\kappa < \kappa_{c_{1}} = 0.250(5)$, and another with 4-sublattice N\'{e}el-II order for $\kappa > \kappa_{c_{2}} = 0.340(5)$. Two different paramagnetic phases are found to exist in the intermediate region. Over the range $\kappa_{c_{1}} < \kappa < \kappa^{i}_{c} = 0.305(5)$ we find a gapless phase with no discernible magnetic order, which is a strong candidate for being a quantum spin liquid, while over the range $\kappa^{i}_{c} < \kappa < \kappa_{c_{2}}$ we find a gapped phase, which is most likely a lattice nematic with staggered dimer VBC order that breaks the lattice rotational symmetry.

Ground-state phase structure of the spin- anisotropic planar pyrochlore

We study the zero-temperature ground-state (GS) properties of the spin- anisotropic planar pyrochlore, using the coupled cluster method (CCM) implemented to high orders of approximation. The system comprises a J1–J2 model on the checkerboard lattice, with isotropic Heisenberg interactions of strength J1 between all nearest–neighbour pairs of spins on the square lattice, and of strength J2 between half of the next-nearest–neighbour pairs (in the checkerboard pattern). We calculate results for the GS energy and average local GS on-site magnetization, using various antiferromagnetic classical ground states as CCM model states. We also give results for the susceptibility of one of these states against the formation of crossed-dimer valence-bond crystalline (CDVBC) ordering. The complete GS phase diagram is presented for arbitrary values of the frustration parameter , and when each of the exchange couplings can take either sign.

A frustrated spin-1 J1-J2 Heisenberg antiferromagnet: An anisotropic planar pyrochlore model

The zero-temperature ground-state (GS) properties and phase diagram of a frustrated spin-1 J1-J2 Heisenberg model on the checkerboard square lattice are studied, using the coupled cluster method. We consider the case where the nearest-neighbour exchange bonds have strength J1 > 0 and the next-nearest-neighbour exchange bonds present (viz., in the checkerboard pattern of the planar pyrochlore) have strength J2 = κJ1 > 0. We find significant differences from both the spin-1/2 and classical versions of the model. We find that the spin-1 model has a first phase transition at κC1 ≈ 1.00 ± 0.01 (as does the classical model at κcl = 1) between two antiferromagnetic phases, viz., a quasiclassical Néel phase (for κ < κC1) and one of the infinitely degenerate family of quasiclassical phases (for k > κC1) that exists in the classical model for κ > κc1, which is now chosen by the order by disorder mechanism as (probably) the "doubled Néel" (or Néel*) state. By contrast, none of this family survives quantum fluctuations to form a stable GS phase in the spin-1/2 case. We also find evidence for a second quantum critical point at κC2 ≈ 2.0 ± 0.5 in the spin-1 model, such that for κ > κC2 the quasiclassical (Néel*) ordering melts and a nonclassical phase appears, which, on the basis of preliminary evidence, appears unlikely to have crossed-dimer valence-bond crystalline (CDVBC) ordering, as in the spin-1/2 case. Unlike in the spin-1/2 case, where the Néel and CDVBC phases are separated by a phase with plaquette valence-bond crystalline (PVBC) ordering, we find very preliminary evidence for such a PVBC state in the spin-1 model for all κ > κC2.

Frustrated spin-12J1–J2isotropicXYmodel on the honeycomb lattice

We study the zero-temperature ground-state (GS) phase diagram of a spin-half $J_{1}$--$J_{2}$ $XY$ model on the honeycomb lattice with nearest-neighbor exchange coupling $J_{1}>0$ and frustrating next-nearest-neighbor exchange coupling $J_{2} \equiv \kappa J_{1}>0$, where both bonds are of the isotropic $XY$ type, using the coupled cluster method. Results are presented for the GS energy per spin, magnetic order parameter, and staggered dimer valence-bond crystalline (SDVBC) susceptibility, for values of the frustration parameter in the range $0 \leq \kappa \leq 1$. In this range we find phases exhibiting, respectively, N\'{e}el $xy$ planar [N(p)], N\'{e}el $z$-aligned [N($z$)], SDVBC, and N\'{e}el-II $xy$ planar [N-II(p)] orderings which break the lattice rotational symmetry. The N(p) state, which is stable for the classical version of the model in the range $0 \leq \kappa \leq \frac{1}{6}$, is found to form the GS phase out to a first quantum critical point at $\kappa_{c_{1}} = 0.216(5)$, beyond which the stable GS phase has N($z$) order over the range $\kappa_{c_{1}} < \kappa < \kappa_{c_{2}}=0.355(5)$. For values $\kappa > \kappa_{c_{2}}$ we find a strong competition to form the GS phase between states with N-II(p) and SDVBC forms of order. Our best estimate, however, is that the stable GS phase over the range $\kappa_{c_{2}} < \kappa < \kappa_{c_{3}} \approx 0.52(3)$ is a mixed state with both SDVBC and N-II(p) forms of order; and for values $\kappa > \kappa_{c_{3}}$ is the N-II(p) state, which is stable at the classical level only at the highly degenerate point $\kappa=\frac{1}{2}$. Over the range $0 \leq \kappa \leq 1$ we find no evidence for any of the spiral phases that are present classically for all values $\kappa > \frac{1}{6}$, nor for any quantum spin-liquid state.

Spin-12J1-J2Heisenberg model on a cross-striped square lattice

Using the coupled cluster method (CCM) we study the full (zero-temperature) ground-state (GS) phase diagram of a spin-half ($s=1/2$) $J_{1}$-$J_{2}$ Heisenberg model on a cross-striped square lattice. Each site of the square lattice has 4 nearest-neighbour exchange bonds of strength $J_{1}$ and 2 next-nearest-neighbour (diagonal) bonds of strength $J_{2}$. The $J_{2}$ bonds are arranged so that the basic square plaquettes in alternating columns have either both or no $J_{2}$ bonds included. The classical ($s \rightarrow \infty$) version of the model has 4 collinear phases when $J_{1}$ and $J_{2}$ can take either sign. Three phases are antiferromagnetic (AFM), showing so-called N\'{e}el, double N\'{e}el and double columnar striped order respectively, while the fourth is ferromagnetic. For the quantum $s=1/2$ model we use the 3 classical AFM phases as CCM reference states, on top of which the multispin-flip configurations arising from quantum fluctuations are incorporated in a systematic truncation hierarchy. Calculations of the corresponding GS energy, magnetic order parameter and the susceptibilities of the states to various forms of valence-bond crystalline (VBC) order are thus carried out numerically to high orders of approximation and then extrapolated to the (exact) physical limit. We find that the $s=1/2$ model has 5 phases, which correspond to the four classical phases plus a new quantum phase with plaquette VBC order. The positions of the 5 quantum critical points are determined with high accuracy. While all 4 phase transitions in the classical model are first order, we find strong evidence that 3 of the 5 quantum phase transitions in the $s=1/2$ model are of continuous deconfined type.

Frustrated spin-12Heisenberg antiferromagnet on a chevron-square lattice

The coupled cluster method (CCM) is used to study the zero-temperature properties of a frustrated spin-half ($s={1}{2}$) $J_{1}$--$J_{2}$ Heisenberg antiferromagnet (HAF) on a 2D chevron-square lattice. Each site on an underlying square lattice has 4 nearest-neighbor exchange bonds of strength $J_{1}>0$ and 2 next-nearest-neighbor (diagonal) bonds of strength $J_{2} \equiv x J_{1}>0$, with each square plaquette having only one diagonal bond. The diagonal bonds form a chevron pattern, and the model thus interpolates smoothly between 2D HAFs on the square ($x=0$) and triangular ($x=1$) lattices, and also extrapolates to disconnected 1D HAF chains ($x \to \infty$). The classical ($s \to \infty$) version of the model has N\'{e}el order for $0 < x < x_{{\rm cl}}$ and a form of spiral order for $x_{{\rm cl}} < x < \infty$, where $x_{{\rm cl}} = {1}{2}$. For the $s={1}{2}$ model we use both these classical states, as well as other collinear states not realized as classical ground-state (GS) phases, as CCM reference states, on top of which the multispin-flip configurations resulting from quantum fluctuations are incorporated in a systematic truncation scheme, which we carry out to high orders and extrapolate to the physical limit. We calculate the GS energy, GS magnetic order parameter, and the susceptibilities of the states to various forms of valence-bond crystalline (VBC) order, including plaquette and two different dimer forms. We find that the $s={1}{2}$ model has two quantum critical points, at $x_{c_{1}} \approx 0.72(1)$ and $x_{c_{2}} \approx 1.5(1)$, with N\'{e}el order for $0 < x < x_{c_{1}}$, a form of spiral order for $x_{c_{1}} < x < x_{c_{2}}$ that includes the correct three-sublattice $120^{\circ}$ spin ordering for the triangular-lattice HAF at $x=1$, and parallel-dimer VBC order for $x_{c_{2}} < x < \infty$.

Phase diagram of a frustrated Heisenberg antiferromagnet on the honeycomb lattice: TheJ1-J2-J3model

We use the coupled-cluster method in high orders of approximation to make a comprehensive study of the ground-state (GS) phase diagram of the spin-1/2 ${J}_{1}$-${J}_{2}$-${J}_{3}$ model on a two-dimensional honeycomb lattice with antiferromagnetic (AFM) interactions up to third-nearest neighbors. Results are presented for the GS energy and the average local onsite magnetization. With the nearest-neighbor coupling strength ${J}_{1}\ensuremath{\equiv}1$, we find four magnetically ordered phases in the parameter window ${J}_{2},{J}_{3}\ensuremath{\in}[0,1]$, namely, the N\'eel, striped, and N\'eel-II collinear AFM phases, plus a spiral phase. The N\'eel-II phase appears as a stable GS phase in the classical version of the model only for values ${J}_{3}&lt;0$. Each of these four ordered phases shares a boundary with a disordered quantum paramagnetic (QP) phase, and at several widely separated points on the phase boundaries the QP phase has an infinite susceptibility to plaquette valence-bond crystalline order. We identify all of the phase boundaries with good precision in the parameter window studied, and we find three tricritical quantum critical points therein at (a) $({J}_{2}^{{c}_{1}},{J}_{3}^{{c}_{1}})=(0.51\ifmmode\pm\else\textpm\fi{}0.01,0.69\ifmmode\pm\else\textpm\fi{}0.01)$ between the N\'eel, striped, and QP phases; (b) $({J}_{2}^{{c}_{2}},{J}_{3}^{{c}_{2}})=(0.65\ifmmode\pm\else\textpm\fi{}0.02,0.55\ifmmode\pm\else\textpm\fi{}0.01)$ between the striped, spiral, and QP phases; and (c) $({J}_{2}^{{c}_{3}},{J}_{3}^{{c}_{3}})=(0.69\ifmmode\pm\else\textpm\fi{}0.01,0.12\ifmmode\pm\else\textpm\fi{}0.01)$ between the spiral, N\'eel-II, and QP phases.