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P. H. Y. Li

Publications and source records attributed to P. H. Y. Li.

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A frustrated spin-1/2 Heisenberg 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 Néel 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 Néel 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 $x_{c_{2}} < x < \infty$.

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Valence-bond crystalline order in the $s=1/2$ $J_{1}$--$J_{2}$ model on the honeycomb lattice

Using the coupled cluster method we study the phase diagram of the spin-1/2 Heisenberg antiferromagnet on a honeycomb lattice with nearest-neighbor exchange coupling $J_{1}>0$ and frustrating next-nearest-neighbor coupling $J_{2} \equiv xJ_{1}>0$. In the range $0<x<1$ we find four phases exhibiting respectively Néel, 6-spin plaquette, staggered dimer, and Néel-II orderings, with quantum critical points at $x_{c_{1}} \approx 0.207(3), x_{c_{2}} \approx 0.385(10)$, and $x_{c_{3}} \approx 0.65(5)$. The transitions at $x_{c_{1}}$ and $x_{c_{3}}$ appear to be continuous (and hence deconfined) ones, while that at $x_{c_{2}}$ appears to be a direct first-order one.

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Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice

We use the coupled cluster method to study the zero-temperature properties of an extended two-dimensional Heisenberg antiferromagnet formed from spin-1/2 moments on an infinite spatially anisotropic kagome lattice of corner-sharing isosceles triangles, with nearest-neighbor bonds only. The bonds have exchange constants $J_{1}>0$ along two of the three lattice directions and $J_{2} \equiv κJ_{1} > 0$ along the third. In the classical limit the ground-state (GS) phase for $κ< 1/2$ has collinear ferrimagnetic (Néel$'$) order where the $J_2$-coupled chain spins are ferromagnetically ordered in one direction with the remaining spins aligned in the opposite direction, while for $κ> 1/2$ there exists an infinite GS family of canted ferrimagnetic spin states, which are energetically degenerate. For the spin-1/2 case we find that quantum analogs of both these classical states continue to exist as stable GS phases in some regions of the anisotropy parameter $κ$, namely for $0<κ<κ_{c_1}$ for the Néel$'$ state and for (at least part of) the region $κ>κ_{c_2}$ for the canted phase. However, they are now separated by a paramagnetic phase without either sort of magnetic order in the region $κ_{c_1} < κ< κ_{c_2}$, which includes the isotropic kagome point $κ= 1$ where the stable GS phase is now believed to be a topological ($\mathbb{Z}_2$) spin liquid. Our best numerical estimates are $κ_{c_1} = 0.515 \pm 0.015$ and $κ_{c_2} = 1.82 \pm 0.03$.

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Phase diagram of a frustrated Heisenberg antiferromagnet on the honeycomb lattice: the $J_{1}$--$J_{2}$--$J_{3}$ model

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 on-site magnetization. With the nearest-neighbor coupling strength $J_{1} \equiv 1$ we find four magnetically ordered phases in the parameter window $J_{2},J_{3} \in [0,1]$, namely the Néel (N), striped (S), and anti-Néel (aN) collinear AFM phases, plus a spiral phase. The aN phase appears as a stable GS phase in the classical version of the model only for values $J_{3}<0$. 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) $(J_{2}^{c_1},J_{3}^{c_1})=(0.51 \pm 0.01,0.69 \pm 0.01)$ between the N, S, and QP phases; (b) $(J_{2}^{c_2},J_{3}^{c_2})=(0.65 \pm 0.02,0.55 \pm 0.01)$ between the S, spiral, and QP phases; and (c) $(J_{2}^{c_3},J_{3}^{c_3})=(0.69 \pm 0.01,0.12 \pm 0.01)$ between the spiral, aN, and QP phases.

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Complete phase diagram of the spin-1/2 $J_{1}$-$J_{2}$-$J_{3}$ model (with $J_{3}=J_{2}$) on the honeycomb lattice

We use the coupled cluster method to investigate the ground-state (GS) properties of the frustrated spin-1/2 $J_{1}$-$J_{2}$-$J_{3}$ model on the honeycomb lattice, with nearest-neighbor exchange coupling $J_1$ plus next-nearest-neighbor ($J_2$) and next-next-nearest-neighbor ($J_3$) exchanges of equal strength. In particular we find a direct first-order phase transition between the Néel-ordered antiferromagnetic phase and the ferromagnetic phase at a value $J_{2}/J_{1} = -1.17 \pm 0.01$ when $J_{1}>0$, compared to the corresponding classical value of -1. We find no evidence for any intermediate phase. From this and our previous CCM studies of the model we present its full zero-temperature GS phase diagram.

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The frustrated Heisenberg antiferromagnet on the checkerboard lattice: the $J_{1}$--$J_{2}$ model

We study the ground-state (gs) phases of the spin-half anisotropic planar pyrochlore (or crossed chain) model using the coupled cluster method (CCM). The model is a frustrated antiferromagnetic (AFM) $J_{1}$--$J_{2}$ system on the checkerboard lattice, with nearest-neighbor exchange bonds $J_{1}>0$ and next-nearest-neighbor bonds $J_{2} \equiv κJ_{1} > 0$. Using various AFM classical ground states as CCM model states we present results for their gs energy, average on-site magnetization, and susceptibilities to plaquette valence-bond crystal (PVBC) and crossed-dimer valence-bond crystal (CDVBC) ordering. We show that the state with Neel ordering is the gs phase for $κ< κ_{c_1} \approx 0.80 \pm 0.01$, but that none of the fourfold set of AFM states selected by quantum fluctuations at $O(1/s)$ in a large-$s$ analysis (where $s$ is the spin quantum number) from the infinitely degenerate set of AFM states that form the gs phase for the classical version of the model (for $κ>1$) survives the quantum fluctuations to form a stable magnetically-ordered gs phase for the spin-half case. The Neel state becomes susceptible to PVBC ordering at or very near to $κ= κ_{c_1}$, and the fourfold AFM states become infinitely susceptible to PVBC ordering at $κ= κ_{c_2} \approx 1.22 \pm 0.02$. In turn, we find that these states become infinitely susceptible to CDVBC ordering for all values of $κ$ above a certain critical value at or very near to $κ= κ_{c_2}$. We thus find a Neel-ordered gs phase for $κ<κ_{c_1}$, a PVBC-ordered phase for $κ_{c_1} < κ< κ_{c_2}$, and a CDVBC-ordered phase for $κ> κ_{c_2}$. Both transitions are probably direct ones, although we cannot exclude very narrow coexistence regions confined to $0.79 \lesssim κ\lesssim 0.81$ and $1.20 \lesssim κ\lesssim 1.22$ respectively.

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Ground-state phases of the frustrated spin-1/2 $J_{1}$--$J_{2}$--$J_{3}$ Heisenberg ferromagnet ($J_{1}<0$) on the honeycomb lattice with $J_{3}=J_{2}>0$

We study the ground-state (gs) properties of the frustrated spin-1/2 $J_{1}$--$J_{2}$--$J_{3}$ Heisenberg model on a honeycomb lattice with ferromagnetic (FM) nearest-neighbor ($J_{1}=-1$) exchange and frustrating antiferromagnetic (AFM) next-nearest-neighbor ($J_{2}>0$) and next-next-nearest-neighbor ($J_{3}>0$) exchanges, for the case $J_{3}=J_{2}$. We use the coupled cluster method in high orders of approximation, complemented by the exact diagonalization of a lattice with 32 sites, and calculate the gs energy, magnetic order parameter, and spin-spin correlation functions. We find a quantum phase transition between regions characterized by FM order and a form of AFM ("striped") collinear order at $J^{c}_{2} \approx 0.1095 \pm 0.0005$. We compare results for the FM case (with $J_{1}=-1$) to previous results for the corresponding AFM case (with $J_{1}=+1$). While the magnetic order parameters behave similarly for the FM and the AFM models for large values of the frustration parameter $J_{2}$, there are considerable differences between them for $J_{2}/|J_{1}| \lesssim 0.6$. For example, the quasiclassical collinear magnetic long-range order for the AFM model (with $J_{1}=+1$) breaks down at $J^{c_{2}}_{2} \approx 0.60$, whereas the "equivalent" point for the FM model (with $J_{1}=-1$) occurs at $J^{c}_{2} \approx 0.11$. Unlike in the AFM model (with $J_{1}=+1$), where a plaquette valence-bond crystal phase intrudes between the two corresponding quasiclassical AFM phases (with Néel and striped order) for $J^{c_{1}}_{2} < J_{2} < J^{c_{2}}_{2}$, with $J^{c_{1}}_{2} \approx 0.47$, we find no clear indications in the FM model for an intermediate magnetically disordered phase between the phases exhibiting FM and striped order. Instead, the evidence points strongly to a direct first-order transition between the two ordered phases of the FM model.

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The frustrated Heisenberg antiferromagnet on the honeycomb lattice: $J_{1}$--$J_{2}$ model

We study the ground-state (gs) phase diagram of the frustrated spin-1/2 $J_{1}$--$J_{2}$ antiferromagnet with $J_{2}=κJ_1>0$ ($J_{1}>0$) on the honeycomb lattice, using the coupled-cluster method. We present results for the ground-state energy, magnetic order parameter and plaquette valence-bond crystal (PVBC) susceptibility. We find a paramagnetic PVBC phase for $κ_{c_1}<κ<κ_{c_2}$, where $κ_{c_1} \approx 0.207 \pm 0.003$ and $κ_{c_2} \approx 0.385 \pm 0.010$. The transition at $κ_{c_1}$ to the Néel phase seems to be a continuous deconfined transition (although we cannot exclude a very narrow intermediate phase in the range $0.21 \lesssim κ\lesssim 0.24$), while that at $κ_{c_2}$ is of first-order type to another quasiclassical antiferromagnetic phase that occurs in the classical version of the model only at the isolated and highly degenerate critical point $κ= 1/2$. The spiral phases that are present classically for all values $κ> 1/6$ are absent for all $κ\lesssim 1$.

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Magnetic order in spin-1 and spin-3/2 interpolating square-triangle Heisenberg antiferromagnets

Using the coupled cluster method we investigate spin-$s$ $J_{1}$-$J_{2}'$ Heisenberg antiferromagnets (HAFs) on an infinite, anisotropic, triangular lattice when the spin quantum number $s=1$ or $s=3/2$. With respect to a square-lattice geometry the model has antiferromagnetic ($J_{1} > 0$) bonds between nearest neighbours and competing ($J_{2}' > 0$) bonds between next-nearest neighbours across only one of the diagonals of each square plaquette, the same one in each square. In a topologically equivalent triangular-lattice geometry, we have two types of nearest-neighbour bonds: namely the $J_{2}' \equiv κJ_{1}$ bonds along parallel chains and the $J_{1}$ bonds producing an interchain coupling. The model thus interpolates between an isotropic HAF on the square lattice at $κ= 0$ and a set of decoupled chains at $κ\rightarrow \infty$, with the isotropic HAF on the triangular lattice in between at $κ= 1$. For both the $s=1$ and the $s=3/2$ models we find a second-order quantum phase transition at $κ_{c}=0.615 \pm 0.010$ and $κ_{c}=0.575 \pm 0.005$ respectively, between a Néel antiferromagnetic state and a helical state. In both cases the ground-state energy $E$ and its first derivative $dE/dκ$ are continuous at $κ=κ_{c}$, while the order parameter for the transition (viz., the average on-site magnetization) does not go to zero on either side of the transition. The transition at $κ= κ_{c}$ for both the $s=1$ and $s=3/2$ cases is analogous to that observed in our previous work for the $s=1/2$ case at a value $κ_{c}=0.80 \pm 0.01$. However, for the higher spin values the transition is of continuous (second-order) type, as in the classical case, whereas for the $s=1/2$ case it appears to be weakly first-order in nature (although a second-order transition could not be excluded).

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The Heisenberg antiferromagnet on the kagome lattice with arbitrary spin: A high-order coupled cluster treatment

Starting with the sqrt{3} x sqrt{3} and the q=0 states as reference states we use the coupled cluster method to high orders of approximation to investigate the ground state of the Heisenberg antiferromagnet on the kagome lattice for spin quantum numbers s=1/2,1,3/2,2,5/2, and 3. Our data for the ground-state energy for s=1/2 are in good agreement with recent large-scale density-matrix renormalization group and exact diagonalization data. We find that the ground-state selection depends on the spin quantum number s. While for the extreme quantum case, s=1/2, the q=0 state is energetically favored by quantum fluctuations, for any s>1/2 the sqrt{3} x sqrt{3} state is selected. For both the sqrt{3} x sqrt{3} and the q=0 states the magnetic order is strongly suppressed by quantum fluctuations. Within our coupled cluster method we get vanishing values for the order parameter (sublattice magnetization) M for s=1/2 and s=1, but (small) nonzero values for M for s>1. Using the data for the ground-state energy and the order parameter for s=3/2,2,5/2, and 3 we also estimate the leading quantum corrections to the classical values.

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The frustrated Heisenberg antiferromagnet on the honeycomb lattice: A candidate for deconfined quantum criticality

We study the ground-state (gs) phase diagram of the frustrated spin-1/2 $J_{1}$-$J_{2}$-$J_{3}$ antiferromagnet with $J_{2} = J_{3} =κJ_1$ on the honeycomb lattice, using coupled-cluster theory and exact diagonalization methods. We present results for the gs energy, magnetic order parameter, spin-spin correlation function, and plaquette valence-bond crystal (PVBC) susceptibility. We find a Néel antiferromagnetic (AFM) phase for $κ< κ_{c_{1}} \approx 0.47$, a collinear striped AFM phase for $κ> κ_{c_{2}} \approx 0.60$, and a paramagnetic PVBC phase for $κ_{c_{1}} \lesssim κ\lesssim κ_{c_{2}}$. The transition at $κ_{c_{2}}$ appears to be of first-order type, while that at $κ_{c_{1}}$ is continuous. Since the Néel and PVBC phases break different symmetries our results favor the deconfinement scenario for the transition at $κ_{c_{1}}$.

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A frustrated quantum spin-${\boldmath s}$ model on the Union Jack lattice with spins ${\boldmath s>1/2}$

The zero-temperature phase diagrams of a two-dimensional frustrated quantum antiferromagnetic system, namely the Union Jack model, are studied using the coupled cluster method (CCM) for the two cases when the lattice spins have spin quantum number $s=1$ and $s=3/2$. The system is defined on a square lattice and the spins interact via isotropic Heisenberg interactions such that all nearest-neighbour (NN) exchange bonds are present with identical strength $J_{1}>0$, and only half of the next-nearest-neighbour (NNN) exchange bonds are present with identical strength $J_{2} \equiv κJ_{1} > 0$. The bonds are arranged such that on the $2 \times 2$ unit cell they form the pattern of the Union Jack flag. Clearly, the NN bonds by themselves (viz., with $J_{2}=0$) produce an antiferromagnetic Néel-ordered phase, but as the relative strength $κ$ of the frustrating NNN bonds is increased a phase transition occurs in the classical case ($s \rightarrow \infty$) at $κ^{\rm cl}_{c}=0.5$ to a canted ferrimagnetic phase. In the quantum cases considered here we also find strong evidence for a corresponding phase transition between a Néel-ordered phase and a quantum canted ferrimagnetic phase at a critical coupling $κ_{c_{1}}=0.580 \pm 0.015$ for $s=1$ and $κ_{c_{1}}=0.545 \pm 0.015$ for $s=3/2$. In both cases the ground-state energy $E$ and its first derivative $dE/dκ$ seem continuous, thus providing a typical scenario of a second-order phase transition at $κ=κ_{c_{1}}$, although the order parameter for the transition (viz., the average ground-state on-site magnetization) does not go to zero there on either side of the transition.

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Magnetic order in a spin-1/2 interpolating kagome-square Heisenberg antiferromagnet

The coupled cluster method is applied to a spin-half model at zero temperature ($T=0$), which interpolates between Heisenberg antiferromagnets (HAF's) on a kagome and a square lattice. With respect to an underlying triangular lattice the strengths of the Heisenberg bonds joining the nearest-neighbor (NN) kagome sites are $J_{1} \geq 0$ along two of the equivalent directions and $J_{2} \geq 0$ along the third. Sites connected by $J_{2}$ bonds are themselves connected to the missing NN non-kagome sites of the triangular lattice by bonds of strength $J_{1}' \geq 0$. When $J_{1}'=J_{1}$ and $J_{2}=0$ the model reduces to the square-lattice HAF. The magnetic ordering of the system is investigated and its $T=0$ phase diagram discussed. Results for the kagome HAF limit are among the best available.

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Magnetic order on a frustrated spin-1/2 Heisenberg antiferromagnet on the Union Jack lattice

We use the coupled cluster method (CCM) to study the zero-temperature phase diagram of a 2D frustrated spin-half antiferromagnet, the so-called Union Jack model. It is defined on a square lattice such that all nearest-neighbor bonds are present with a strength $J_{1} > 0$, but only half the next-nearest-neighbor bonds are present with a strength $J_{2} \equiv κJ_{1} > 0$. The bonds are arranged such that on the $2 \times 2$ unit cell they form the pattern of the Union Jack flag. We find strong evidence for a first phase transition between a Néel phase and a canted ferrimagnetic phase at a critical coupling $κ_{c_{1}} = 0.66 \pm 0.02$. At the transition the energy and its first derivative seem continuous, thus providing a typical scenario of a second-order transition, although a weakly first-order transition cannot be excluded. By contrast, the average on-site magnetization $M$ approaches a nonzero value $M_{c_{1}}=0.195 \pm 0.005$ on both sides of the transition, which is more typical of a first-order transition. The slope $dM/dκ$ also appears to be continuous, or very nearly so, at the critical point $κ_{c_{1}}$. We find strong evidence that the canted phase becomes unstable at large values of $κ$, and hence we have also used the CCM with a model collinear semi-stripe-ordered ferrimagnetic state in which alternating rows (and columns) are ferromagnetically and antiferromagnetically ordered. We find tentative evidence, based on the relative energies of the two states, for a second (first-order) phase transition between the canted and semi-stripe-ordered states at a large value of the coupling parameter around $κ_{c_{2}} \approx 125 \pm 5$. This prediction, however, is based on an extrapolation of the CCM results for the canted state into regimes where the CCM equations at any level of approximation beyond the lowest have no solutions.

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Magnetic order in a spin-half interpolating square-triangle Heisenberg antiferromagnet

Using the coupled cluster method we study the zero-temperature phase diagram of a spin-half Heisenberg antiferromagnet (HAF), the so-called $J_{1}$--$J_{2}'$ model, defined on an anisotropic 2D lattice. With respect to an underlying square-lattice geometry the model contains antiferromagnetic ($J_{1} > 0$) bonds between nearest neighbors and competing ($J_{2}'>0$) bonds between next-nearest neighbors across only one of the diagonals of each square plaquette, the same diagonal in every square. Considered on an equivalent triangular-lattice geometry the model may be regarded as having two sorts of nearest-neighbor bonds, with $J_{2}' \equiv κJ_{1}$ bonds along parallel chains and $J_{1}$ bonds providing an interchain coupling. Hence, the model interpolates between a spin-half HAF on the square lattice at one extreme ($κ= 0$) and a set of decoupled spin-half chains at the other ($κ\to \infty$), with the spin-half HAF on the triangular lattice in between at $κ= 1$. We find strong evidence that quantum fluctuations favor a first-order transition from quasiclassical Néel order to a quantum helical state at a first critical point at $κ_{c_{1}} = 0.80 \pm 0.01$, by contrast with the corresponding second-order transition between the equivalent classical states at $κ_{\rm cl} = 0.5$. We also find strong evidence for a second critical point at $κ_{c_{2}} = 1.8 \pm 0.4$ where another first-order transition occurs, this time from the quantum helical phase to a collinear stripe-ordered phase. This latter result provides quantitative verification of a recent qualitative prediction of Starykh and Balents [Phys.\ Rev. Lett. {\bf 98}, 077205 (2007)] for the $J_{1}$--$J_{2}'$ model that did not, however, evaluate the corresponding critical point.

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The DSUB$m$ Approximation Scheme for the Coupled Cluster Method and Applications to Quantum Magnets

A new approximate scheme, DSUB$m$, is described for the coupled cluster method. We then apply it to two well-studied (spin-1/2 Heisenberg antiferromagnet) spin-lattice models, namely: the $XXZ$ and the $XY$ models on the square lattice in two dimensions. Results are obtained in each case for the ground-state energy, the sublattice magnetization and the quantum critical point. They are in good agreement with those from such alternative methods as spin-wave theory, series expansions, quantum Monte Carlo methods and those from the CCM using the LSUB$m$ scheme.

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The ground-state magnetic ordering of the spin-1/2 frustrated J1-J2 XXZ model on the square lattice

Using the coupled-cluster method for infinite lattices and the exact diagonalization method for finite lattices, we study the influence of an exchange anisotropy Delta on the ground-state phase diagram of the spin-1/2 frustrated J1-J2 XXZ antiferromagnet on the square lattice. We find that increasing Delta>1 (i.e. an Ising type easy-axis anisotropy) as well as decreasing Delta<1 (i.e. an XY type easy-plane anisotropy) both lead to a monotonic shrinking of the parameter region of the magnetically disordered quantum phase. Finally, at Delta~1.9 this quantum phase disappears, whereas in pure XY limit (Delta=0) there is still a narrow region around J2 =0.5J1 where the quantum paramagnetic ground-state phase exists.

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The quantum $J_{1}$--$J_{1}'$--$J_{2}$ spin-1 Heisenberg model: Influence of the interchain coupling on the ground-state magnetic ordering in 2D

We study the phase diagram of the isotropic $J_{1}$--$J_{1}'$--$J_{2}$ Heisenberg model for spin-1 particles on an anisotropic square lattice, using the coupled cluster method. We find no evidence for an intermediate phase between the Néel and stripe states, as compared with all previous results for the corresponding spin-1/2 case. However, we find a quantum tricritical point at $J_{1}'/J_{1} \approx0.66 \pm 0.03$, $J_{2}/J_{1} \approx0.35\pm0.02$, where a line of second-order phase transitions between the quasi-classical Néel and stripe-ordered phases (for $J_{1}'/J_{1} \lesssim 0.66$) meets a line of first-order phase transitions between the same two states (for $J_{1}'/J_{1} \gtrsim 0.66$)

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