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Physical Review Letters

Frustration Effect in Quantum Spin Systems

L.G. Marland, Donald D. Betts

Published Nov 19, 1979• 68 citations
Publisher

Abstract

We have calculated the ground-state properties of the $s=\frac{1}{2}$ $\mathrm{XY}$ and Heisenberg models on finite triangular and square lattices with competing interactions which would lead to frustrated classical spin models. The evidence favors the hypothesis that quantum spin models on infinite two-dimensional lattices experience no frustration.

DOI
10.1103/physrevlett.43.1618

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We have calculated the ground-state properties of the s=12s=\frac{1}{2}s=21​ XY\mathrm{XY}XY and Heisenberg models on finite triangular and square lattices with competing interactions which would lead to frustrated classical spin models. The evidence favors the hypothesis that quantum spin models on infinite two-dimensional lattices experience no frustration.
Models of interacting quantum spins have contributed significantly to our understanding of magnetism. The Heisenberg model on square lattice, which exhibits semiclassical N´eel order, is one of the canonical models. However, with frustration introduced by competing interactions, the system becomes computationally intractable. Exotic quantum phases that have no magnetic long range order may be present due to the frustration. The quantum phases do not have any classical analogue, and a valence bond crystal state with translational and/or rotational symmetry breaking as well as a quantum spin liquid state have been proposed as potential candidates. We construct several trial wavefunctions in the resonating valence bond basis and apply large-scale unbiased calculations to examine the possible descriptions of the ground state in the strongly frustrated region. An analytical master equation is also proposed to provide an approximate solution for the valence bond states. Our numerical and analytical studies suggest that the frustrated ground state exhibits a one-dimensional-like behaviour.
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.
Ground-state properties of spin 1 / 2 Heisenberg systems are calculated for finite clusters up to nine spins. By a comparison of systems with different degrees of competition in the interactions, the frustration effects in the spin configuration of the ground state are investigated. A minimum value for the strength of the spin correlation mod <S i .S j > 0 mod of antiferromagnetically interacting spins i and j in systems without competition is estimated to be 0.25. The occurrence of values for mod <S i .S j < 0 mod lower than this minimum value indicates frustration. By varying the degree of competition, abrupt changes in the ground state are found. Furthermore the competition for certain systems causes ground states with much lower symmetry than that of the Hamiltonian.
The spin-spin correlation function in the ground state of some two-dimensional fully frustrated spin models are investigated. The correlations are long ranged and decay as $\frac{1}{{r}^{\ensuremath{\eta}}}$, where rrr is the distance between the two spins and $\ensuremath{\eta}=\frac{1}{2}$. This result is true for both the square and triangular fully frustrated lattices, thus suggesting that these models form a universality class. It is shown that the fully frustrated Ising model on a square lattice can be mapped exactly into a special Baxter model. The spin-spin correlation function of this Baxter model can be calculated exactly. The ground state of the fully frustrated square Ising model corresponds to the free fermion point of the FFF model and therefore, through duality, to the decoupling point of the critical Baxter line. The relationship between the FFF model above the critical temperature and the Gaussian model above the multicritical point is discussed.
We investigate two-dimensional spin models and begin with an introduction to critical phenomena with emphasis on classical systems with boundaries and conformal invariance. Then we introduce the antiferromagnetic quantum Heisenberg model with frustrating interactions. Conformal invariance of a statistical mechanical system at criticality has powerful implications in two dimensions. With the use of conformal field theory, we investigate finite-size and boundary effects for a class of N-critical models that describe the simplest type of multicritical behaviour. In Papers I and II, correlation functions for the order parameter and other operators of these multicritical Ising models are derived for restricted domains (semi-infinite plane, infinite strip, disc and rectangle) with free or fixed boundary conditions. These yield the corresponding universal surface exponents and allow for a detailed analysis of correlations lengths, structure factors and response functions. The interplay between duality and boundary conditions is also made explicit. In Paper III, we analyse structure factors at criticality and show how apparent power- law scaling at intermediate momenta - induced by finite size and boundaries - depends on the boundary conditions applied. The predictions are confirmed by using correlation functions calculated in Papers I and II. Two-dimensional Heisenberg antiferromagnets have attracted much attention because of their relation to high-Tc superconductors. The second part of the thesis (Papers IV and V) treats spin-1/2 antiferromagnets defined on square- and honeycomb lattices with frustrating interactions. By using a Schwinger-boson mean-field theory, we calculate low-temperature quantum corrections to thermodynamic parameters, such as spin-wave velocity and transverse susceptibility. Their dependence on frustration is explicated and used to estimate the stability of the Néel state via a mapping to the nonlinear .sigma. model that describes the low-energy limit of the antiferromagnet.
Motivated by the experimental realization of quantum spin models of polar molecule KRb in optical lattices, we analyze the spin 1/2 dipolar Heisenberg model with competing anisotropic, long-range exchange interactions. We show that, by tilting the orientation of dipoles using an external electric field, the dipolar spin system on square lattice comes close to a maximally frustrated region similar, but not identical, to that of the J_{1}-J_{2} model. This provides a simple yet powerful route to potentially realize a quantum spin liquid without the need for a triangular or kagome lattice. The ground state phase diagrams obtained from Schwinger-boson and spin-wave theories consistently show a spin disordered region between the Néel, stripe, and spiral phase. The existence of a finite quantum paramagnetic region is further confirmed by an unbiased variational ansatz based on tensor network states and a tensor renormalization group.