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Physical review. B./Physical review. B

Frustrated J1−J2−J3 Heisenberg antiferromagnet on the simple cubic lattice

J. Oitmaa

Published Jan 24, 2017• 7 citations
Publisher

Abstract

We use series expansion methods to investigate the phase diagram of a frustrated spin-$\frac{1}{2}$ Heisenberg antiferromagnet on the simple cubic lattice, with interactions extending to third neighbors. Our results do not support a recent prediction of a rather large paramagnetic phase at zero temperature, but do show behavior which may be indicative of a small disordered region near the point of maximum frustration.

DOI
10.1103/physrevb.95.014427

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We use series expansion methods to investigate the phase diagram of a frustrated spin-12\frac{1}{2}21​ Heisenberg antiferromagnet on the simple cubic lattice, with interactions extending to third neighbors. Our results do not support a recent prediction of a rather large paramagnetic phase at zero temperature, but do show behavior which may be indicative of a small disordered region near the point of maximum frustration.
The phase diagram of the anisotropic quantum spin-1/2 Heisenberg antiferromagnet in the presence of competitive nearest (J1)({J}_{1})(J1​)- and next-nearest $({J}_{2}=\ensuremath{\alpha}{J}_{1})$-neighbor interactions on a simple cubic lattice is studied within the framework of the differential operator technique. The Hamiltonian is solved by using an effective-field theory in a two-spin cluster. We propose a function for the free energy, which is similar to the Landau expansion, in order to find the ground state (T=0)(T=0)(T=0) and the finite-TTT phase diagram. At zero temperature, we find a first-order quantum phase transition in the point ${\ensuremath{\alpha}}_{c}(\ensuremath{\Delta})$ between the antiferromagnetic (AF) and superantiferromagnetic (SAF) phases. This is dependent on the anisotropy parameter $\ensuremath{\Delta}$ ($\ensuremath{\Delta}=0$ and 1 correspond to the isotropic Heisenberg and Ising models, respectively). The quantum critical values of ${\ensuremath{\alpha}}_{c}(\ensuremath{\Delta}\ensuremath{\ne}1)={\ensuremath{\alpha}}_{c}^{q}(\ensuremath{\Delta})$ are smaller than those of the classical model ${\ensuremath{\alpha}}_{c}(\ensuremath{\Delta}=1)={\ensuremath{\alpha}}_{c}^{c}=1/4$ (for example, for $\ensuremath{\Delta}=0$, we find ${\ensuremath{\alpha}}_{c}^{q}(0)=0.21$). The former monotonically increases with the anisotropy parameter $\ensuremath{\Delta}$. The phase diagram in $T\text{\ensuremath{-}}\ensuremath{\alpha}$ plane presents a second-order transition at ${T}_{2}(\ensuremath{\alpha})$ between the AF and paramagnetic (P) phases. The phase transition between the SAF and P phases is of first-order ${T}_{1}(\ensuremath{\alpha})$ for all values of $\ensuremath{\Delta}∊[0,1]$. The phase transition lines ${T}_{1}(\ensuremath{\alpha})$ and ${T}_{2}(\ensuremath{\alpha})$ merge in a critical end point (CEP) that is dependent on $\ensuremath{\Delta}$ [i.e., ${T}_{\text{CEP}}(\ensuremath{\Delta})$ and ${\ensuremath{\alpha}}_{\text{CEP}}(\ensuremath{\Delta})$ are the temperature and frustration parameters at the CEP]. The ordered phases (AF and SAF) are separated by first-order transitions and exhibit a nontrivial re-entrant behavior at low temperatures.
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​.
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 J1{J}_{1}J1​-J2{J}_{2}J2​-J3{J}_{3}J3​ 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 J3<0{J}_{3}<0J3​<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.
We present results for a complementary analysis of the frustrated planar ${J}_{1}\ensuremath{-}{J}_{2}\ensuremath{-}{J}_{3}$ spin-1/2 quantum antiferromagnet (AFM). Using dynamical functional renormalization group, high-order-coupled cluster calculations, and series expansion based on the flow equation method, we have calculated generalized momentum-resolved susceptibilities, the ground-state energy, the magnetic-order parameter, and the elementary excitation gap. From these, we determine a quantum phase diagram that shows a large window of a quantum paramagnetic (QP) phase situated among the N\'eel, spiral, and collinear states, which are present already in the classical ${J}_{1}\ensuremath{-}{J}_{2}\ensuremath{-}{J}_{3}$ AFM. Our findings are consistent with substantial plaquette correlations in the QP phase. The extent of the QP region is found to be in satisfying agreement between the three different approaches we have employed.
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We present the zero-temperature phase diagram of a Heisenberg antiferromagnet on a frustrated triangular lattice with nearest-neighbor (J1)({J}_{1})(J1​) and next-nearest-neighbor (J2)({J}_{2})(J2​) interactions, in a magnetic field. We show that the classical model has an accidental degeneracy for all J2/J1{J}_{2}/{J}_{1}J2​/J1​ and all fields, but the degeneracy is lifted by quantum fluctuations. We show that at large spin SSS, for J2/J1<1/8{J}_{2}/{J}_{1}<1/8J2​/J1​<1/8, quantum fluctuations select the same sequence of three sublattice co-planar states in a field as for J2=0{J}_{2}=0J2​=0, and for 1/8<J2/J1<11/8<{J}_{2}/{J}_{1}<11/8<J2​/J1​<1, they select the canted stripe state for all nonzero fields. The transition between the two states is first order in all fields, with the hysteresis width set by quantum fluctuations. We study the model with arbitrary SSS, including S=1/2S=1/2S=1/2, near the saturation field by exploring the fact that near saturation the density of bosons is small for all SSS. We show that for S>1S>1S>1, the transition remains first order, with a finite hysteresis width, but for S=1/2S=1/2S=1/2 and, possibly, S=1S=1S=1, there appears a new intermediate phase without a quasiclassical long-range order.