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arXiv:1510.07969 · Physical review. B./Physical review. B

Umbrella-coplanar transition in the triangular XXZ model with arbitrary spin

Giacomo Marmorini, Daisuke Yamamoto, Ippei Danshita

Published Jun 1, 2016• 16 citations
arXivHTMLPDF

Abstract

The quantum triangular XXZ model has recently enjoyed a wealth of new theoretical results, especially in relation to the modeling of the ${\mathrm{Ba}}_{3}{\mathrm{CoSb}}_{2}{\mathrm{O}}_{9}$ compound. In particular, it has been understood that in a longitudinal magnetic field the umbrella (cone) phase, classically stable in all the easy-plane region of the ground-state phase diagram, is considerably reduced by the effect of quantum fluctuations. We provide more quantitative information for this phenomenon at arbitrary value of the site spin $S$, by employing the dilute Bose gas expansion, valid in the high-field regime; our results improve the available estimates of the $1/S$ expansion. We quantify the extent to which a higher spin suppresses the effect of quantum fluctuations. Besides, we show how in three-dimensional layered systems a relatively small antiferromagnetic interlayer coupling has a similar consequence of bringing back the umbrella phase in some part of the phase diagram.

DOI
10.1103/physrevb.93.224402

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•Jul 1, 2019•1 citation
The quantum triangular XXZ model has recently enjoyed a wealth of new theoretical results, especially in relation to the modeling of the Ba3CoSb2O9{\mathrm{Ba}}_{3}{\mathrm{CoSb}}_{2}{\mathrm{O}}_{9}Ba3​CoSb2​O9​ compound. In particular, it has been understood that in a longitudinal magnetic field the umbrella (cone) phase, classically stable in all the easy-plane region of the ground-state phase diagram, is considerably reduced by the effect of quantum fluctuations. We provide more quantitative information for this phenomenon at arbitrary value of the site spin SSS, by employing the dilute Bose gas expansion, valid in the high-field regime; our results improve the available estimates of the 1/S1/S1/S expansion. We quantify the extent to which a higher spin suppresses the effect of quantum fluctuations. Besides, we show how in three-dimensional layered systems a relatively small antiferromagnetic interlayer coupling has a similar consequence of bringing back the umbrella phase in some part of the phase diagram.
The triangular lattice of S=1/2 spins with XXZ anisotropy is a ubiquitous model for various frustrated systems in different contexts. We determine the quantum phase diagram of the model in the plane of the anisotropy parameter and the magnetic field by means of a large-size cluster mean-field method with a scaling scheme. We find that quantum fluctuations break up the nontrivial continuous degeneracy into two first-order phase transitions. In between the two transition boundaries, the degeneracy-lifting results in the emergence of a new coplanar phase not predicted in the classical counterpart of the model. We suggest that the quantum phase transition to the nonclassical coplanar state can be observed in triangular-lattice antiferromagnets with large easy-plane anisotropy or in the corresponding optical-lattice systems.
Quantum magnetic phases near the magnetic saturation of triangular-lattice antiferromagnets with XXZ anisotropy have been attracting renewed interest since it has been suggested that a nontrivial coplanar phase, called the $\ensuremath{\pi}$-coplanar or $\mathrm{\ensuremath{\Psi}}$ phase, could be stabilized by quantum effects in a certain range of anisotropy parameter J/JzJ/{J}_{z}J/Jz​ besides the well-known 0-coplanar (known also as V)V)V) and umbrella phases. Recently, Sellmann et al. [Phys. Rev. B 91, 081104(R) (2015)] claimed that the $\ensuremath{\pi}$-coplanar phase is absent for S=1/2S=1/2S=1/2 from an exact-diagonalization analysis in the sector of the Hilbert space with only three down-spins (three magnons). We first reconsider and improve this analysis by taking into account several low-lying eigenvalues and the associated eigenstates as a function of J/JzJ/{J}_{z}J/Jz​ and by sensibly increasing the system sizes (up to 1296 spins). A careful identification analysis shows that the lowest eigenstate is a chirally antisymmetric combination of finite-size umbrella states for $J/{J}_{z}\ensuremath{\gtrsim}2.218$ while it corresponds to a coplanar phase for $J/{J}_{z}\ensuremath{\lesssim}2.218$. However, we demonstrate that the distinction between 0-coplanar and $\ensuremath{\pi}$-coplanar phases in the latter region is fundamentally impossible from the symmetry-preserving finite-size calculations with fixed magnon number. Therefore, we also perform a cluster mean-field plus scaling analysis for small spins $S\ensuremath{\le}3/2$. The obtained results, together with the previous large-SSS analysis, indicate that the $\ensuremath{\pi}$-coplanar phase exists for any SSS except for the classical limit $(S\ensuremath{\rightarrow}\ensuremath{\infty})$ and the existence range in J/JzJ/{J}_{z}J/Jz​ is largest in the most quantum case of S=1/2S=1/2S=1/2.
We use a combination of numerical density matrix renormalization group calculations and several analytical approaches to comprehensively study a simplified model for a spatially anisotropic spin-12\frac{1}{2}21​ triangular lattice Heisenberg antiferromagnet: the three-leg triangular spin tube (TST). The model is described by three Heisenberg chains, with exchange constant JJJ, coupled antiferromagnetically with exchange constant ${J}^{\ensuremath{'}}$ along the diagonals of the ladder system, with periodic boundary conditions in the shorter direction. Here, we determine the full phase diagram of this model as a function of both spatial anisotropy (between the isotropic and decoupled chain limits) and magnetic field. We find a rich phase diagram, which is remarkably dominated by quantum states: the phase corresponding to the classical ground state appears only in an exceedingly small region. Among the dominant phases generated by quantum effects are commensurate and incommensurate coplanar quasiordered states, which appear in the vicinity of the isotropic region for most fields, and in the high-field region for most anisotropies. The coplanar states, while not classical ground states, can at least be understood semiclassically. Even more strikingly, the largest region of phase space is occupied by a spin density wave phase, which has incommensurate collinear correlations along the field. This phase has no semiclassical analog, and may be ascribed to enhanced one-dimensional fluctuations due to frustration. Cutting across the phase diagram is a magnetization plateau, with a gap to all excitations and ``up-up-down'' spin order, with a quantized magnetization equal to 13\frac{1}{3}31​ of the saturation value. In the TST, this plateau extends almost but not quite to the decoupled chains limit. Most of the above features are expected to carry over to the two-dimensional system, which we also discuss. At low field, a dimerized phase appears, which is particular to the one-dimensional nature of the TST, and which can be understood from quantum Berry phase arguments.
We study the S= quantum antiferromagnetic XY model on finite triangular lattices with N sites in both longitudinal and transverse magnetic fields. We calculate physical quantities in the ground state using a diagonalization for spins N\ensuremath{\leqslant}27, and those at finite temperatures using a quantum transfer Monte Carlo method for N\ensuremath{\leqslant}24. In the longitudinal magnetic field, the long-range chiral order parameter seems to have a finite, nonzero value at low temperatures suggesting the occurrence of a classical umbrella-type phase. In the transverse magnetic field, the 1/3 plateau of the magnetization curve appears even at low temperatures, in contrast with the classical model. The magnetic-field dependences of the order parameters suggest that the chiral-ordered, the ferrimagnetic, and the spin-flop phases appear successively as the magnetic field is increased. The transition temperatures are estimated from the peak position of the specific heat, and the phase diagrams are predicted in both longitudinal and transverse magnetic fields.
Coplanar model states for applications of the coupled cluster method (CCM) to problems in quantum magnetism are those in which all spins lie in a plane, whereas three-dimensional (3D) model states are, by contrast, non-coplanar ones in which all the spins do not lie in any single plane. A crucial first step in applying the CCM to any such lattice quantum spin system is to perform a passive rotation of the local spin axes so that all spins in the model state appear mathematically to point in the same (say, downwards z-)direction. Whereas this process leads to terms with only real coefficients in the rotated Hamiltonian for coplanar model states, an additional complication arises for 3D model states where the corresponding coefficients can become complex-valued. We show here for the first time how high-order implementations of the CCM can be performed for such Hamiltonians. We explain in detail why the extension of the computational implementation of the CCM when going from coplanar to 3D model states is a non-trivial task that has not hitherto been undertaken. To illustrate these new developments, we present results for three cases: (a) the spin-half one-dimensional Ising ferromagnet in an applied transverse magnetic field (as an exactly solvable test model to use as a yardstick for the viability and accuracy of our new methodology); (b) the spin-half triangular-lattice Heisenberg antiferromagnet in the presence of an external magnetic field; and (c) the spin-S triangular-lattice XXZ antiferromagnet in the presence of an external magnetic field, for the cases 12≤S≤5\frac{1}{2} \le S \le 5 21​≤S≤5 . For 3D model states the sets of algebraic CCM equations for the ket- and bra-state correlation coefficients become complex-valued, but ground-state expectation values of all physical observables are manifestly real numbers, as required, and as we explicitly demonstrate in all three applications. Indeed, excellent correspondence is seen with the results of other methods, where they exist, for these systems. In particular, our CCM results demonstrate explicitly that coplanar ordering is favoured over non-coplanar ordering for the triangular-lattice spin-half Heisenberg antiferromagnet at all values of the applied external magnetic field, whereas for the anisotropic XXZ model non-coplanar ordering can be favoured in some regions of the parameter space. Specifically, we present a precise determination of the boundary (i.e., the critical value of the XXZ anisotropy parameter Δ\Delta Δ ) between a 3D ground state and a coplanar ground state for the XXZ model for values for the external magnetic field near to saturation, for values of the spin quantum number S≤5S \le 5S≤5 . Although the CCM calculations are computationally intensive for this frustrated model, especially for high spin quantum numbers, our accurate new results certainly improve our understanding of it.
Coplanar model states for applications of the coupled cluster method (CCM) to problems in quantum magnetism are those in which all spins lie in a plane, whereas three-dimensional (3D) model states are, by contrast, non-coplanar ones in which all the spins do not lie in any single plane. A crucial first step in applying the CCM to any such lattice quantum spin system is to perform a passive rotation of the local spin axes so that all spins in the model state appear mathematically to point in the same (say, downwards z-)direction. Whereas this process leads to terms with only real coefficients in the rotated Hamiltonian for coplanar model states, an additional complication arises for 3D model states where the corresponding coefficients can become complex-valued. We show here for the first time how high-order implementations of the CCM can be performed for such Hamiltonians. We explain in detail why the extension of the computational implementation of the CCM when going from coplanar to 3D model states is a non-trivial task that has not hitherto been undertaken. To illustrate these new developments, we present results for three cases: (a) the spin-half one-dimensional Ising ferromagnet in an applied transverse magnetic field (as an exactly solvable test model to use as a yardstick for the viability and accuracy of our new methodology); (b) the spin-half triangular-lattice Heisenberg antiferromagnet in the presence of an external magnetic field; and (c) the spin-S triangular-lattice XXZ antiferromagnet in the presence of an external magnetic field, for the cases <= S <= 5. For 3D model states the sets of algebraic CCM equations for the ket- and bra-state correlation coefficients become complex-valued, but ground-state expectation values of all physical observables are manifestly real numbers, as required, and as we explicitly demonstrate in all three applications. Indeed, excellent correspondence is seen with the results of other methods, where they exist, for these systems. In particular, our CCM results demonstrate explicitly that coplanar ordering is favoured over non-coplanar ordering for the triangular-lattice spin-half Heisenberg antiferromagnet at all values of the applied external magnetic field, whereas for the anisotropic XXZ model non-coplanar ordering can be favoured in some regions of the parameter space. Specifically, we present a precise determination of the boundary (i.e., the critical value of the XXZ anisotropy parameter Delta) between a 3D ground state and a coplanar ground state for the XXZ model for values for the external magnetic field near to saturation, for values of the spin quantum number S <= 5. Although the CCM calculations are computationally intensive for this frustrated model, especially for high spin quantum numbers, our accurate new results certainly improve our understanding of it.