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arXiv:2107.07182 · Physical review. B./Physical review. B

Hierarchical single-ion anisotropies in spin-1 Heisenberg antiferromagnets on the honeycomb lattice

Nils Caci, Lukas Weber, Stefan Weßel

Published Oct 22, 2021• 8 citations
arXivHTMLPDF

Abstract

We examine the thermal properties of the spin-1 Heisenberg antiferromagnet on the honeycomb lattice in the presence of an easy-plane single-ion anisotropy as well as the effects of an additional weak in-plane easy-axis anisotropy. In particular, using large-scale quantum Monte Carlo simulations, we analyze the scaling of the correlation length near the thermal phase transition into the ordered phase. This allows us to quantify the temperature regime above the critical point in which---in spite of the additional in-plane easy-axis anisotropy---characteristic easy-plane physics, such as near a Berezinskii-Kosterlitz-Thouless transition, can still be accessed. Our theoretical analysis is motivated by recent neutron scattering studies of the spin-1 compound $\mathrm{Ba}{\mathrm{Ni}}_{2}{\mathrm{V}}_{2}{\mathrm{O}}_{8}$ in particular, and it addresses basic quantum spin models for generic spin-1 systems with weak anisotropies, which we probe over the full range of experimentally relevant correlation length scales.

DOI
10.1103/physrevb.104.155139

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We study the critical and thermodynamic properties of an S=1/2 two-dimensional quantum XXZ antiferromagnet with weak easy-plane anisotropy using the continuous-time quantum Monte Carlo method based on the loop-cluster algorithm. A detailed finite-size scaling analysis reveals that the model displays a finite temperature Berezinskii–Kosterlitz–Thouless (BKT) transition for anisotropy as small as 10−3, the dominant isotropic coupling. For larger anisotropy (10−2) we single out relevant features of anisotropic behavior that anticipate the BKT transition. Implications for experimental observation of a BKT phase in real magnets are discussed.
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.
We study a Heisenberg antiferromagnetic chain of spin S=1 with nearest-neighbor exchange interaction J and easy-plane single-ion anisotropy D. We follow the splitting of the Haldane gap into two components as a function of the anisotropy. Chains of length up to 16 sites are studied by a Lancz\"os method and longer chains up to 32 sites have been investigated by a quantum Monte Carlo simulation for D/J=0.10, 0.15, 0.20, and 0.25. A careful finite-size scaling treatment of our data leads to values that are directly relevant to the interpretation of experiments on Ni(C2{\mathrm{C}}_{2}C2​H8{\mathrm{H}}_{8}H8​N2{\mathrm{N}}_{2}N2​)2{)}_{2})2​NO2{\mathrm{NO}}_{2}NO2​ClO4{\mathrm{ClO}}_{4}ClO4​ (NENP). We discuss the relationship between our results and the magnetic-susceptibility measurements as well as the inelastic-neutron-scattering data and on the Haldane conjecture. Values are proposed for the parameters D and J in the case of NENP.
Abstract The spin-one honeycomb bilayer XY antiferromagnet has been studied taking into account the effect of the next-near neighbor J2 exchange interactions and single-ion easy plane anisotropy, using a flavor wave theory. We found that, at a critical point α C = 13.8 , where α = J ⊥ / J 1 is the ratio between the interlayer J ⊥ to the intralayer near neighbor J1 exchange interaction, the system shows a quantum phase transition from an Neel ordered phase to a paramagnetic phase. The phase diagram at zero temperature is presented.
Using large-scale quantum Monte Carlo simulations, we determine the ground state phase diagram of the spin-1/2 antiferromagnetic Heisenberg model on the honeycomb lattice for the most generic case of three varying interaction strengths along the different lattice directions. We identify continuous quantum phase transition lines that separate the long-range ordered antiferromagnetic regime from three distinct quantum-disordered phases, each characterized by dominant dimer-singlet formations. The finite-size behavior along these phase transition lines exhibits anomalously large corrections to scaling, which we relate to similar recent findings in certain dimerized quantum spin systems and to singular one-dimensional limits in the model parameter space. We also comment more generally on the nonuniversality of critical cumulant ratios in anisotropic systems and attempts to restore universality by varying the aspect ratio.