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arXiv:1004.2339 · Physical Review B

Magnetic order on a frustrated spin- 12 Heisenberg antiferromagnet on the Union Jack lattice

R. F. Bishop, P. H. Y. Li, DAMIAN J. J. FARNELL, C. E. Campbell

Published Jul 15, 2010• 33 citations
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Abstract

We use the coupled cluster method (CCM) to study the zero-temperature phase diagram of a two-dimensional frustrated spin-half antiferromagnet, the so-called Union Jack model. It is defined on a square lattice such that all nearest-neighbor pairs are connected by bonds with a strength ${J}_{1}>0$, but only half the next-nearest-neighbor pairs are connected by bonds with a strength ${J}_{2}\ensuremath{\equiv}\ensuremath{\kappa}{J}_{1}>0$. The bonds are arranged such that on the $2\ifmmode\times\else\texttimes\fi{}2$ unit cell they form the pattern of the Union Jack flag. Alternating sites on the square lattice are thus four-connected and eight-connected. We find strong evidence for a first phase transition between a N\'eel antiferromagnetic phase and a canted ferrimagnetic phase at a critical coupling ${\ensuremath{\kappa}}_{{c}_{1}}=0.66\ifmmode\pm\else\textpm\fi{}0.02$. The transition is an interesting one, at which the energy and its first derivative seem continuous, thus providing a typical scenario of a second-order transition (just as in the classical case for the model), although a weakly first-order transition cannot be excluded. By contrast, the average on-site magnetization approaches a nonzero value ${M}_{{c}_{1}}=0.195\ifmmode\pm\else\textpm\fi{}0.005$ on both sides of the transition, which is more typical of a first-order transition. The slope, $dM/d\ensuremath{\kappa}$, of the order parameter curve as a function of the coupling strength $\ensuremath{\kappa}$, also appears to be continuous, or very nearly so, at the critical point ${\ensuremath{\kappa}}_{{c}_{1}}$, thereby providing further evidence of the subtle nature of the transition between the N\'eel and canted phases. Our CCM calculations provide strong evidence that the canted ferrimagnetic phase becomes unstable at large values of $\ensuremath{\kappa}$, and hence we have also used the CCM with a model collinear semistripe-ordered ferrimagnetic state in which alternating rows (and columns) are ferromagnetically and antiferromagnetically ordered, and in which the spins connected by ${J}_{2}$ bonds are antiparallel to one another. We find tentative evidence, based on the relative energies of the two states, for a second zero-temperature phase transition between the canted and semistripe-ordered ferrimagnetic states at a large value of the coupling parameter around ${\ensuremath{\kappa}}_{{c}_{2}}\ensuremath{\approx}125\ifmmode\pm\else\textpm\fi{}5$. This prediction, however, is based on an extrapolation of the CCM results for the canted state into regimes where the solutions have already become unstable and the CCM equations based on the canted state at any level of approximation beyond the lowest have no solutions. Our prediction for ${\ensuremath{\kappa}}_{{c}_{2}}$ is hence less reliable than that for ${\ensuremath{\kappa}}_{{c}_{1}}$. Nevertheless, if this second transition at ${\ensuremath{\kappa}}_{{c}_{2}}$ does exist, our results clearly indicate it to be of first-order type.

DOI
10.1103/physrevb.82.024416

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Quantum phase diagram of a frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ Heisenberg model on an $AA$-stacked bilayer honeycomb lattice

P. H. Y. Li, R. F. Bishop

The zero-temperature quantum phase diagram of the spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ model on an $AA$-stacked bilayer honeycomb lattice is investigated using the coupled cluster method (CCM). The model comprises two monolayers in each of which the spins, residing on honeycomb-lattice sites, interact via both nearest-neighbor (NN) and frustrating next-nearest-neighbor isotropic antiferromagnetic (AFM) Heisenberg exchange iteractions, with respective strengths $J_{1} > 0$ and $J_{2} \equiv \kappa J_{1}>0$. The two layers are coupled via a comparable Heisenberg exchange interaction between NN interlayer pairs, with a strength $J_{1}^{\perp} \equiv \delta J_{1}$. The complete phase boundaries of two quasiclassical collinear AFM phases, namely the Neel and Neel-II phases, are calculated in the $\kappa \delta$ half-plane with $\kappa > 0$. Whereas on each monolayer in the Neel state all NN pairs of spins are antiparallel, in the Neel-II state NN pairs of spins on zigzag chains along one of the three equivalent honeycomb-lattice directions are antiparallel, while NN interchain spins are parallel. We calculate directly in the thermodynamic (infinite-lattice) limit both the magnetic order parameter $M$ and the excitation energy $\Delta$ from the $s^{z}_{T}=0$ ground state to the lowest-lying $|s^{z}_{T}|=1$ excited state (where $s^{z}_{T}$ is the total $z$ component of spin for the system as a whole, and where the collinear ordering lies along the $z$ direction) for both quasiclassical states used (separately) as the CCM model state, on top of which the multispin quantum correlations are then calculated to high orders ($n \leq 10$) in a systematic series of approximations involving $n$-spin clusters. The sole approximation made is then to extrapolate the sequences of $n$th-order results for $M$ and $\Delta$ to the exact limit, $n \to \infty$.

•May 3, 2018•0 citations
We use the coupled cluster method (CCM) to study the zero-temperature phase diagram of a two-dimensional frustrated spin-half antiferromagnet, the so-called Union Jack model. It is defined on a square lattice such that all nearest-neighbor pairs are connected by bonds with a strength J1>0{J}_{1}>0J1​>0, but only half the next-nearest-neighbor pairs are connected by bonds with a strength J2\ensuremath≡\ensuremathκJ1>0{J}_{2}\ensuremath{\equiv}\ensuremath{\kappa}{J}_{1}>0J2​\ensuremath≡\ensuremathκJ1​>0. The bonds are arranged such that on the 2\ifmmode×\else\texttimes\fi22\ifmmode\times\else\texttimes\fi{}22\ifmmode×\else\texttimes\fi2 unit cell they form the pattern of the Union Jack flag. Alternating sites on the square lattice are thus four-connected and eight-connected. We find strong evidence for a first phase transition between a N'eel antiferromagnetic phase and a canted ferrimagnetic phase at a critical coupling \ensuremathκc1=0.66\ifmmode±\else\textpm\fi0.02{\ensuremath{\kappa}}_{{c}_{1}}=0.66\ifmmode\pm\else\textpm\fi{}0.02\ensuremathκc1​​=0.66\ifmmode±\else\textpm\fi0.02. The transition is an interesting one, at which the energy and its first derivative seem continuous, thus providing a typical scenario of a second-order transition (just as in the classical case for the model), although a weakly first-order transition cannot be excluded. By contrast, the average on-site magnetization approaches a nonzero value Mc1=0.195\ifmmode±\else\textpm\fi0.005{M}_{{c}_{1}}=0.195\ifmmode\pm\else\textpm\fi{}0.005Mc1​​=0.195\ifmmode±\else\textpm\fi0.005 on both sides of the transition, which is more typical of a first-order transition. The slope, dM/d\ensuremathκdM/d\ensuremath{\kappa}dM/d\ensuremathκ, of the order parameter curve as a function of the coupling strength \ensuremathκ\ensuremath{\kappa}\ensuremathκ, also appears to be continuous, or very nearly so, at the critical point \ensuremathκc1{\ensuremath{\kappa}}_{{c}_{1}}\ensuremathκc1​​, thereby providing further evidence of the subtle nature of the transition between the N'eel and canted phases. Our CCM calculations provide strong evidence that the canted ferrimagnetic phase becomes unstable at large values of \ensuremathκ\ensuremath{\kappa}\ensuremathκ, and hence we have also used the CCM with a model collinear semistripe-ordered ferrimagnetic state in which alternating rows (and columns) are ferromagnetically and antiferromagnetically ordered, and in which the spins connected by J2{J}_{2}J2​ bonds are antiparallel to one another. We find tentative evidence, based on the relative energies of the two states, for a second zero-temperature phase transition between the canted and semistripe-ordered ferrimagnetic states at a large value of the coupling parameter around \ensuremathκc2\ensuremath≈125\ifmmode±\else\textpm\fi5{\ensuremath{\kappa}}_{{c}_{2}}\ensuremath{\approx}125\ifmmode\pm\else\textpm\fi{}5\ensuremathκc2​​\ensuremath≈125\ifmmode±\else\textpm\fi5. This prediction, however, is based on an extrapolation of the CCM results for the canted state into regimes where the solutions have already become unstable and the CCM equations based on the canted state at any level of approximation beyond the lowest have no solutions. Our prediction for \ensuremathκc2{\ensuremath{\kappa}}_{{c}_{2}}\ensuremathκc2​​ is hence less reliable than that for \ensuremathκc1{\ensuremath{\kappa}}_{{c}_{1}}\ensuremathκc1​​. Nevertheless, if this second transition at \ensuremathκc2{\ensuremath{\kappa}}_{{c}_{2}}\ensuremathκc2​​ does exist, our results clearly indicate it to be of first-order type.
Using the coupled cluster method (CCM) we study the full (zero-temperature) ground-state (GS) phase diagram of a spin-half (s=12s=\frac{1}{2}s=21​) J1{J}_{1}J1​-J2{J}_{2}J2​ Heisenberg model on a cross-striped square lattice. Each site of the square lattice has four nearest-neighbor exchange bonds of strength J1{J}_{1}J1​ and two next-nearest-neighbor (diagonal) bonds of strength J2{J}_{2}J2​. The J2{J}_{2}J2​ bonds are arranged so that the basic square plaquettes in alternating columns have either both or no J2{J}_{2}J2​ bonds included. The classical ($s\ensuremath{\rightarrow}\ensuremath{\infty}$) version of the model has four collinear phases when J1{J}_{1}J1​ and J2{J}_{2}J2​ can take either sign. Three phases are antiferromagnetic (AFM), showing so-called N\'eel, double N\'eel, and double columnar striped order, respectively, while the fourth is ferromagnetic. For the quantum s=12s=\frac{1}{2}s=21​ model we use the three 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=12s=\frac{1}{2}s=21​ model has five phases, which correspond to the four classical phases plus a new quantum phase with plaquette VBC order. The positions of the five quantum critical points are determined with high accuracy. While all four phase transitions in the classical model are first order, we find strong evidence that three of the five quantum phase transitions in the s=12s=\frac{1}{2}s=21​ model are of continuous deconfined type.
We study the zero-temperature phase diagram and the low-lying excitations of a square-lattice spin-half Heisenberg antiferromagnet with two types of regularly distributed nearest-neighbor exchange bonds [J>0[J>0[J>0 (antiferromagnetic) and $\ensuremath{-}\ensuremath{\infty}<{J}^{\ensuremath{'}}<\ensuremath{\infty}]$ using the coupled cluster method (CCM) for high orders of approximation (up to LSUB8). We use a N\'eel model state as well as a helical model state as a starting point for the CCM calculations. We find a second-order transition from a phase with N\'eel order to a finite-gap quantum disordered phase for sufficiently large antiferromagnetic exchange constants ${J}^{\ensuremath{'}}>0.$ For frustrating ferromagnetic couplings ${J}^{\ensuremath{'}}<0$ we find indications that quantum fluctuations favor a first-order phase transition from the N\'eel order to a quantum helical state, by contrast with the corresponding second-order transition in the corresponding classical model. The results are compared to those of exact diagonalizations of finite systems (up to 32 sites) and those of spin-wave and variational calculations. The CCM results agree well with the exact diagonalization data over the whole range of the parameters. The special case of ${J}^{\ensuremath{'}}=0,$ which is equivalent to the honeycomb lattice, is treated more closely.
The ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg model is a ``canonical'' model in the field of quantum magnetism in order to study the interplay between frustration and quantum fluctuations as well as quantum phase transitions driven by frustration. Here we apply the coupled cluster method (CCM) to study the spin-half ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model with antiferromagnetic nearest-neighbor bonds J1>0{J}_{1}>0J1​>0 and next-nearest-neighbor bonds J2>0{J}_{2}>0J2​>0 for the simple cubic (sc) and body-centered cubic (bcc) lattices. In particular, we wish to study the ground-state ordering of these systems as a function of the frustration parameter p=z2J2/z1J1p={z}_{2}{J}_{2}/{z}_{1}{J}_{1}p=z2​J2​/z1​J1​, where z1(z2){z}_{1} ({z}_{2})z1​(z2​) is the number of nearest (next-nearest) neighbors. We wish to determine the positions of the phase transitions using the CCM and we aim to resolve the nature of the phase transition points. We consider the ground-state energy, order parameters, spin-spin correlation functions, as well as the spin stiffness in order to determine the ground-state phase diagrams of these models. We find a direct first-order phase transition at a value of p=0.528p=0.528p=0.528 from a state of nearest-neighbor N\'eel order to next-nearest-neighbor N\'eel order for the bcc lattice. For the sc lattice the situation is more subtle. CCM results for the energy, the order parameter, the spin-spin correlation functions, and the spin stiffness indicate that there is no direct first-order transition between ground-state phases with magnetic long-range order, rather it is more likely that two phases with antiferromagnetic long range are separated by a narrow region of a spin-liquid-like quantum phase around p=0.55p=0.55p=0.55. Thus the strong frustration present in the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg model on the sc lattice may open a window for an unconventional quantum ground state in this three-dimensional spin model.
We study the ground-state (GS) properties of the frustrated spin-12\frac{1}{2}21​ J1{J}_{1}J1​--J2{J}_{2}J2​--J3{J}_{3}J3​ Heisenberg model on the two-dimensional honeycomb lattice with ferromagnetic nearest-neighbor (${J}_{1}=\ensuremath{-}1$) exchange and frustrating antiferromagnetic next-nearest-neighbor (J2>0{J}_{2}>0J2​>0) and next-next-nearest-neighbor (J3>0{J}_{3}>0J3​>0) exchanges, for the case J3=J2{J}_{3}={J}_{2}J3​=J2​. We use the coupled-cluster method implemented to high orders of approximation, complemented by the Lanczos exact diagonalization of a large finite lattice with 32 sites, in order to calculate the GS energy, magnetic order parameter, and spin-spin correlation functions. In one scenario we find a quantum phase transition point between regions characterized by ferromagnetic order and a form of antiferromagnetic (``striped'') collinear order at ${J}_{2}^{c}\ensuremath{\approx}0.1095\ifmmode\pm\else\textpm\fi{}0.0005$, which is below the corresponding hypothetical transition point at J2cl=17{J}_{2}^{\mathrm{cl}}=\frac{1}{7}J2cl​=71​ ($\ensuremath{\approx}0.143$) for the classical version of the model, in which we momentarily ignore the intervening noncollinear spiral phase in the region 110<J2<15\frac{1}{10}<{J}_{2}<\frac{1}{5}101​<J2​<51​. Hence we see that quantum fluctuations appear to stabilize somewhat the collinear antiferromagnetic order in preference to the ferromagnetic order in this model. We compare results for the present ferromagnetic case (with ${J}_{1}=\ensuremath{-}1$) to previous results for the corresponding antiferromagnetic case (with J1=+1{J}_{1}=+1J1​=+1). The magnetic order parameter is found to behave similarly for the ferromagnetic and the antiferromagnetic models for large values of the frustration parameter J2{J}_{2}J2​. However, there are considerable differences in the behavior of the order parameters for the two models for ${J}_{2}/|{J}_{1}|\ensuremath{\lesssim}0.6$. For example, the quasiclassical collinear magnetic long-range order for the antiferromagnetic model (with J1=+1{J}_{1}=+1J1​=+1) breaks down at ${J}_{2}^{{c}_{2}}\ensuremath{\approx}0.60$, whereas the ``equivalent'' point for the ferromagnetic model (with ${J}_{1}=\ensuremath{-}1$) occurs at ${J}_{2}^{c}\ensuremath{\approx}0.11$. Unlike in the antiferromagnetic model (with J1=+1{J}_{1}=+1J1​=+1), where a plaquette valence-bond crystal phase intrudes between the two corresponding quasiclassical antiferromagnetic phases (with N\'eel and striped order) for J2c1<J2<J2c2{J}_{2}^{{c}_{1}}<{J}_{2}<{J}_{2}^{{c}_{2}}J2c1​​<J2​<J2c2​​, with ${J}_{2}^{{c}_{1}}\ensuremath{\approx}0.47$, we find no clear indications at all in the ferromagnetic model for an intermediate magnetically disordered phase between the corresponding phases exhibiting ferromagnetic and striped order. Instead the evidence for the ferromagnetic model (with ${J}_{1}=\ensuremath{-}1$) points to one of two scenarios: either there is a direct first-order transition between the two magnetically ordered phases, as mentioned above; or there exists an intervening phase between them in the very narrow range $0.10\ensuremath{\lesssim}{J}_{2}\ensuremath{\lesssim}0.12$, which is probably a remnant of the spiral phase that exists in the classical counterpart of the model over the larger range 110<J2<15\frac{1}{10}<{J}_{2}<\frac{1}{5}101​<J2​<51​.
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.
Quantum phase diagram of a frustrated spin-12\frac{1}{2}21​ J1J_{1}J1​--J2J_{2}J2​--J1⊥J_{1}^{\perp}J1⊥​ Heisenberg model on an AAAAAA-stacked bilayer honeycomb lattice
The zero-temperature quantum phase diagram of the spin-12\frac{1}{2}21​ J1J_{1}J1​--J2J_{2}J2​--J1⊥J_{1}^{\perp}J1⊥​ model on an AAAAAA-stacked bilayer honeycomb lattice is investigated using the coupled cluster method (CCM). The model comprises two monolayers in each of which the spins, residing on honeycomb-lattice sites, interact via both nearest-neighbor (NN) and frustrating next-nearest-neighbor isotropic antiferromagnetic (AFM) Heisenberg exchange iteractions, with respective strengths J1>0J_{1} > 0J1​>0 and J2≡κJ1>0J_{2} \equiv \kappa J_{1}>0J2​≡κJ1​>0. The two layers are coupled via a comparable Heisenberg exchange interaction between NN interlayer pairs, with a strength J1⊥≡δJ1J_{1}^{\perp} \equiv \delta J_{1}J1⊥​≡δJ1​. The complete phase boundaries of two quasiclassical collinear AFM phases, namely the Neel and Neel-II phases, are calculated in the κδ\kappa \deltaκδ half-plane with κ>0\kappa > 0κ>0. Whereas on each monolayer in the Neel state all NN pairs of spins are antiparallel, in the Neel-II state NN pairs of spins on zigzag chains along one of the three equivalent honeycomb-lattice directions are antiparallel, while NN interchain spins are parallel. We calculate directly in the thermodynamic (infinite-lattice) limit both the magnetic order parameter MMM and the excitation energy Δ\DeltaΔ from the sTz=0s^{z}_{T}=0sTz​=0 ground state to the lowest-lying ∣sTz∣=1|s^{z}_{T}|=1∣sTz​∣=1 excited state (where sTzs^{z}_{T}sTz​ is the total zzz component of spin for the system as a whole, and where the collinear ordering lies along the zzz direction) for both quasiclassical states used (separately) as the CCM model state, on top of which the multispin quantum correlations are then calculated to high orders (n≤10n \leq 10n≤10) in a systematic series of approximations involving nnn-spin clusters. The sole approximation made is then to extrapolate the sequences of nnnth-order results for MMM and Δ\DeltaΔ to the exact limit, n→∞n \to \inftyn→∞.