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arXiv:1606.09595 · Physical review. B./Physical review. B

Spiral versus modulated collinear phases in the quantum axial next-nearest-neighbor Heisenberg model

J. Oitmaa, Rajiv R. P. Singh

Published Dec 23, 2016• 1 citation
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Abstract

Motivated by the discovery of spiral and modulated collinear phases in several magnetic materials, we investigate the magnetic properties of Heisenberg spin $S=1/2$ antiferromagnets in two and three dimensions, with frustration arising from second-neighbor couplings in one axial direction [the axial next-nearest-neighbor Heisenberg (ANNNH) model]. Our results clearly demonstrate the presence of an incommensurate spiral phase at $T=0$ in two dimensions, extending to finite temperatures in three dimensions. The crossover between N\'eel and spiral order occurs at a value of the frustration parameter considerably above the classical value 0.25, a sign of substantial quantum fluctuations. We also investigate a possible modulated collinear phase with a wavelength of four lattice spacings and find that it has substantially higher energy and hence is not realized in the model.

DOI
10.1103/physrevb.94.214430

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Motivated by the discovery of spiral and modulated collinear phases in several magnetic materials, we investigate the magnetic properties of Heisenberg spin S=1/2S=1/2S=1/2 antiferromagnets in two and three dimensions, with frustration arising from second-neighbor couplings in one axial direction [the axial next-nearest-neighbor Heisenberg (ANNNH) model]. Our results clearly demonstrate the presence of an incommensurate spiral phase at T=0T=0T=0 in two dimensions, extending to finite temperatures in three dimensions. The crossover between N'eel and spiral order occurs at a value of the frustration parameter considerably above the classical value 0.25, a sign of substantial quantum fluctuations. We also investigate a possible modulated collinear phase with a wavelength of four lattice spacings and find that it has substantially higher energy and hence is not realized in the 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​.
In this work the ordering processes in classical frustrated Ising models and the ground-state behavior of frustrated quantum spin models are investigated. In the first part the phase transition from a high-temperature paramagnetic phase to a antiferromagnetic ground state is analyzed for the square-lattice Ising model with competing antiferromagnetic interactions between nearest- and next-nearest-neighbor spins. In the case of spatially isotropic interactions the phase transition to a collinear state is of special interest. Using Monte-Carlo simulations on finite lattices as well as field-theoretical methods for the continuous model it is shown that depending on the frustration three different sectors can be distinguished that show (i) Ising-universal behavior (ii) Ashkin-Teller-like non-universal behavior (varying critical exponents) and (iii) non-critical first-order behavior. For spatially anisotropic interactions the emergence of an intermediate incommensurate phase is verified by means of Monte-Carlo simulations which has been predicted by earlier mean-field calculations. The nature of this phase is studied analyzing spin-spin correlation functions and its ordering wave-vector reveals a strong temperature and size dependence. In the second part the influence of quantum fluctuations on classical antiferromagnetic ground states are investigated in anisotropic quantum spin-1/2 Heisenberg models with competing interactions. Using quantum Monte-Carlo simulations, exact diagonalization and perturbation theory the ground-state phase diagrams are calculated for a square lattice with nearest- and next-nearest-neighbor interactions and a honeycomb lattice with up to third-nearest-neighbor interactions whereby the fluctuations are chosen to be non-frustrating. For both cases the stability regions of classical magnetic states are identified and an intermediate phase is detected that shows no sign of long-range magnetic order. Further calculations also rule out valence-bond-crystal or topological order for this state, thus a quantum disordered ground state is stabilized in these models.
We use the coupled cluster method for infinite chains complemented by exact diagonalization of finite periodic chains to discuss the influence of a third-neighbor exchange J(3) on the ground state of the spin-½ Heisenberg chain with ferromagnetic nearest-neighbor interaction J(1) and frustrating antiferromagnetic next-nearest-neighbor interaction J(2). A third-neighbor exchange J(3) might be relevant to describe the magnetic properties of the quasi-one-dimensional edge-shared cuprates, such as LiVCuO(4) or LiCu(2)O(2). In particular, we calculate the critical point J(2)(c) as a function of J(3), where the ferromagnetic ground state gives way for a ground state with incommensurate spiral correlations. For antiferromagnetic J(3) the ferro-spiral transition is always continuous and the critical values J(2)(c) of the classical and the quantum model coincide. On the other hand, for ferromagnetic J3 is < or approximately equal to -(0.01...0.02)|J1|. the critical value J(2)(c) of the quantum model is smaller than that of the classical model. Moreover, the transition becomes discontinuous, i.e. the model exhibits a quantum tricritical point. We also calculate the height of the jump of the spiral pitch angle at the discontinuous ferro-spiral transition.
By using the coupled cluster method, the numerical exact diagonalization method, and the numerical density matrix renormalization group method, we investigated the properties of the one-dimensional Heisenberg chain with alternating antiferromagnetic and ferromagnetic next nearest neighbor interactions. In the classical limit, the ground state is in the collinear Neel state if a<1/2, while for a>1/2, there is an noncollinear canted state. For the quantum case, we found that, although the classical Neel state is absent, the canted state exists if the frustration parameter a exceeds a critical point ac1. The precise critical point ac1 can be determined by using the coupled cluster method and the numerical exact diagonalization method separately. The results of the coupled cluster method and the exact diagonalization method both disclose that the type of phase transition occurring at ac1 changes from a classical second-order transition to a quantum first-order transition due to quantum fluctuation. Although there is another critical point ac2 in a finite system at which the ground state evolves from the canted state to the collinear Neel plus ferromagnetic state, that state is absent because ac2 tends to infinity in the thermodynamic limit.
In this article we study the ground-state properties of two square-lattice Heisenberg quantum spin models with competing bonds using a high-order coupled cluster treatment. The first model is a spin-half model with competing nearest-neighbour bonds with and without frustration. We discuss the influence of quantum fluctuations on the ground-state phase diagram and in particular on the nature of the zero-temperature phase transitions from phases with collinear magnetic order at small frustration to phases with noncollinear spiral order at large frustration. The second model is a highly frustrated ferrimagnet, which contains one sublattice (A) entirely populated with spin-one spins and an other sublattice (B) entirely populated with spin-half spins. Sublattice A sites are nearest-neighbours to sublattice B sites and vice versa and frustration is introduced by next-nearest-neighbour bonds. The model shows two collinear ordered phases and a noncollinear phase in which (classically) the spin-one spins are allowed to cant at an angle. Both examples show that the coupled-cluster method is able to describe the zero-temperature transitions well and provides a consistent description of collinear, noncollinear, and disordered phases, for cases in which other standard techniques (e.g. the quantum Monte Carlo technique for spin systems which are frustrated) are not applicable.
We analyze the thermodynamic properties of the spin-SSS two-dimensional quantum Heisenberg antiferromagnet on a square lattice with nearest and next-nearest neighbor couplings in the N\'eel phase (J2∕J1<0.4)({J}_{2}∕{J}_{1}<0.4)(J2​∕J1​<0.4) employing the quantum hierarchical reference theory, a nonperturbative implementation of the renormalization group method to quantum systems. We investigate the staggered susceptibility, the structure factors, and the correlation length at finite temperature and for different values of the frustration ratio. From the finite temperature results, we also extrapolate ground state properties, such as spin stiffness and spontaneous staggered magnetization, providing an estimate of the extent of quantum corrections. The behavior of these quantities as a function of frustration may provide some hints on the breakdown of the N\'eel phase at zero temperature for larger values of J2{J}_{2}J2​.