arXiv:1612.05358 · Physical review. E

Quantum Monte Carlo study of the spin-1/2 honeycomb Heisenberg model with mixed antiferromagnetic and ferromagnetic interactions in external magnetic fields

Yizhen Huang, Gang Su

Published May 30, 2017• 9 citations

Abstract

The continuous imaginary-time quantum Monte Carlo method with the worm update algorithm is applied to explore the ground-state properties of the spin-1/2 Heisenberg model with antiferromagnetic (AF) coupling J>0 and ferromagnetic (F) coupling J^{'}<0 along zigzag and armchair directions, respectively, on honeycomb lattice. It is found that by enhancing the F coupling J^{'} between zigzag AF chains, the system is smoothly crossover from one-dimensional zigzag spin chains to a two-dimensional magnetic ordered state. In absence of an external field, the system is in a stripe-ordered phase. In the presence of uniform and staggered fields, the uniform and staggered out-of-plane magnetizations appear while the stripe order remains in the xy plane, and a second-order quantum phase transition (QPT) at a critical staggered field is observed. The critical exponents of correlation length for QPTs induced by a staggered field for the cases with J>0, J^{'}<0 and J<0, J^{'}>0 are obtained to be ν=0.70046(1) and 0.7086(3), respectively, indicating that both cases belong to O(3) universality. The corresponding dynamic and susceptibility exponent z and γ/ν are fitted to be 1.006572(9), 1.9412(2) and 1.004615(8), 1.96121(9) for the two cases, respectively. The scaling behavior in a staggered field is analyzed, and the ground-state phase diagrams in the plane of coupling ratio and staggered field are presented for two cases. The temperature dependence of susceptibility and specific heat of both systems in external magnetic fields is also discussed. A Kosterlitz-Thouless phase transition is found for the present system in a uniform field.

DOI: 10.1103/physreve.95.052147

Related papers

Quantum phase transition, universality, and scaling behaviors in the spin-1/2 Heisenberg model with ferromagnetic and antiferromagnetic competing interactions on a honeycomb lattice

Yizhen Huang, Bin Xi, Xi Chen +3 more

The quantum phase transition, scaling behaviors, and thermodynamics in the spin-1/2 quantum Heisenberg model with antiferromagnetic coupling J>0 in the armchair direction and ferromagnetic interaction J^{'}<0 in the zigzag direction on a honeycomb lattice are systematically studied using the continuous-time quantum Monte Carlo method. By calculating the Binder ratio Q_{2} and spin stiffness ρ in two directions for various coupling ratios α=J^{'}/J under different lattice sizes, we found that a quantum phase transition from the dimerized phase to the stripe phase occurs at the quantum critical point α_{c}=-0.93. Through the finite-size scaling analysis on Q_{2}, ρ_{x}, and ρ_{y}, we determined the critical exponent related to the correlation length ν to be 0.7212(8), implying that this transition falls into a classical Heisenberg O(3) universality. A zero magnetization plateau is observed in the dimerized phase, whose width decreases with increasing α. A phase diagram in the coupling ratio α-magnetic field h plane is obtained, where four phases, including dimerized, stripe, canted stripe, and polarized, are identified. It is also unveiled that the temperature dependence of the specific heat C(T) for different α's intersects precisely at one point, similar to that of liquid ^{3}He under different pressures and several magnetic compounds under various magnetic fields. The scaling behaviors of Q_{2}, ρ, and C(T) are carefully analyzed. The susceptibility is compared with the experimental data to give the magnetic parameters of both compounds.

arXiv:1606.02069Physical review. EJun 6, 201615 citations

Properties of the two-dimensional spin-1/2 Heisenberg model on a honeycomb lattice with interlayer coupling

Löw

The magnetic properties of the two-dimensional S = 1 2 (quantum) antiferromagnetic Heisenberg model on a honeycomb lattice with and without interlayer coupling are studied by means of a continuous Euclidean time Quantum-Monte-Carlo algorithm.The internal energy, the magnetic susceptibility and the staggered magnetization are determined in the full temperature range.For the two-dimensional system the groundstate energy/bond is found to be E hc 0 = -0.36303(13),and the zero temperature staggered magnetization m st = 0.2681(8).For coupled planes of honeycomb systems a phase transition from an ordered phase to a disordered phase is found at T /J = 0.695(10).

Condensed Matter PhysicsJan 1, 200932 citations

Low-energy properties of anisotropic two-dimensional spin- 12 Heisenberg models in staggered magnetic fields

Bin Xi, Shijie Hu, Jize Zhao +3 more

We present a systematic study of the anisotropic spin-1/2 Heisenberg model in staggered magnetic fields in two dimensions. To mimic real materials, we consider a system of coupled, antiferromagnetic chains, whose interchain interaction can be either ferro- or antiferromagnetic. When the staggered field is commensurate with the magnetic interactions, an energy gap opens immediately and follows a power law as a function of the applied field, similar to the situation in one dimension. When the field competes with the interactions, a quantum phase transition (QPT) occurs from a gapless, magnetically ordered phase at low fields to a gapped, disordered regime. We use a continuous-time Monte Carlo method to compute the staggered moment of the ordered phases and the spin gap of the disordered phases. We deduce the phase diagrams as functions of the anisotropy ratio and the applied field, and calculate the scaling behavior of the models in both quantities. We show that in the competitive case, the staggered field acts to maintain a regime of quasi-1D behavior around the QPT, and we discuss as a consequence the nature of the crossover from one-dimensional (1D) to 2D physics.

arXiv:1106.4605Physical Review BOct 10, 201111 citations

Quantum Monte Carlo study on the phase transition for a generalized two-dimensional staggered dimerized Heisenberg model

Rui Zheng, Bang‐Gui Liu

In order to gain a deeper understanding of the quantum criticality in the explicitly staggered dimerized Heisenberg models, we study a generalized staggered dimer model named the J 0 — J 1 — J 2 model, which corresponds to the staggered J — J ′ model on a square lattice and a honeycomb lattice when J 1 / J 0 equals 1 and 0, respectively. Using the quantum Monte Carlo method, we investigate all the quantum critical points of these models with J 1 / J 0 changing from 0 to 1 as a function of coupling ratio α = J 2 / J 0 . We extract all the critical values of the coupling ratio α c for these models, and we also obtain the critical exponents ν, β/ν, and η using different finite-size scaling ansätz,. All these exponents are not consistent with the three-dimensional Heisenberg universality class, indicating some unconventional quantum critical points in these models.

Chinese Physics BNov 1, 20122 citations

Monte Carlo studies of two dimensional quantum spin systems

M. S. Makivić

Spin-1/2 nearest neighbor Heisenberg antiferromagnet and XY model on a square lattice are studied via large scale quantum Monte Carlo simulations using a fast and efficient multispin coding algorithm on the Caltech/JPL MarkIIIfp parallel supercomputer, based on the Suzuki-Trotter transformation. We performed simulations with very good statistics on lattices as large as 128x128 spins, in the temperature range from 0.1 to 2.5 in units of the effective exchange coupling J. We calculated energy, specific heat, magnetic susceptibilities and also spin correlation functions from which we deduce the correlation lengths. For the Heisenberg model, at temperatures higher than J the results are in excellent agreement with high-temperature series expansion. At low temperatures the long wavelength behavior is essentially classical. Our data show that the correlation length and staggered susceptibility are quantitatively well described by the renormalized classical picture at the 2-loop level of approximation. From the divergence of the correlation length, we deduce the value of the quantum renormalized spin stiffness, [rho][subscript s]/J = 0.199(2). We give evidence that the correlation function is of the Ornstein-Zernicke type. By comparing the largest measured correlation lengths with neutron scattering experiments on La2CuO4, we deduce the value of effective exchange coupling J = 1450±30 K. By measuring the imaginary time-dependent correlation functions, we show that the dynamics of the model can be well understood within a Bose liquid-type picture. The spin waves are rather sharp throughout most of the Brillouin zone and the damping is weakly dependent on the wave vector. In the case of the XY model, convincing numerical evidence is obtained on square lattices as large as 96x96 that the spin-1/2 XY model undergoes a Kosterlitz-Thouless (KT) phase transition at kTc/J = 0.350(4). The correlation length and in-plane susceptibility diverge at Tc precisely according to the form predicted by Kosterlitz and Thouless for the classical XY model. The specific heat increases very rapidly on heating near Tc and exhibits a peak around kT/J = 0.45. We also measure the spin stiffness and the correlation function exponent below the transition temperature. Within the statistical accuracy of the measurements, the results are well described by the square root singularity (with a nonuniversal amplitude) below Tc, and they have the universal values in agreement with KT theory at Tc.

Jul 20, 20070 citations

Phase diagrams of two-dimensional frustrated spin systems

Ansgar Kalz

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.

Jan 1, 20120 citations