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Journal of Applied Physics

Thermodynamics of two-dimensional XXZ easy-plane quantum Heisenberg magnets

Luca Capriotti, Alessandro Cuccoli, V. Tognetti, Ruggero Vaia, Paola Verrucchi

Published Apr 15, 1997• 3 citations
Publisher

Abstract

We consider the quantum easy-plane (XXZ) magnet on the square lattice. In the classical case the system exhibits the Berezinskii–Kosterlitz–Thouless transition. Simulations, both for ferro- and antiferromagnets, using the method of the effective classical Hamiltonian, are made for different spin values and refer to the specific heat, the static spin correlation functions and correlation lengths in a broad range of temperatures, below and above the transition. The effects of quantum fluctuations are quantitatively evaluated and discussed.

DOI
10.1063/1.365104

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We consider the quantum easy-plane (XXZ) magnet on the square lattice. In the classical case the system exhibits the Berezinskii–Kosterlitz–Thouless transition. Simulations, both for ferro- and antiferromagnets, using the method of the effective classical Hamiltonian, are made for different spin values and refer to the specific heat, the static spin correlation functions and correlation lengths in a broad range of temperatures, below and above the transition. The effects of quantum fluctuations are quantitatively evaluated and discussed.
The critical behavior of 2D magnetic easy-plane systems has mainly been studied by the classical XY model. However, the z components of the spins have to be considered in order to describe real systems, and their fluctuations cannot positively be neglected when quantum effects are to be included, quantum spins being intrinsically three-component objects. Therefore, Monte Carlo simulations are performed for the Heisenberg ferromagnet with easy-plane anisotropy (XXZ model) on a two-dimensional square lattice with a twofold aim: first, to obtain accurate quantitative results about the critical behavior of the classical model, showing the relevant role played by the out-of-plane fluctuations; second, to open the way for approaching the quantum thermodynamics by means of the effective Hamiltonian method that reduces the quantum thermodynamics of the XXZ ferromagnet to the investigation of an effective classical model with temperature-dependent renormalized interaction parameters. Specific heat, magnetic susceptibility, and correlation length are calculated in the critical region for lattice sizes up to 128×128. These quantities preserve the Kosterlitz–Thouless behavior of the XY model. For the transition temperature of the classical XX0 model we obtain the estimate kBTc/(JS̃2)=0.69±0.01.
Results of Monte Carlo simulations of the ferromagnetic classical XXZ model on a square lattice are reported for interactions of the out of plane spin components \ensuremath{\lambda} varying between 0 and 0.99. For all the value of \ensuremath{\lambda} the signature of a Berezinskii-Kosterlitz-Thouless (BKT) phase transition was observed, and the corresponding critical temperature was located both by BKT fits and finite-size scaling methods. Data for in-plane and out of plane susceptibility, correlation length, specific heat, and internal energy are given in a broad range of temperature and for lattice sizes ranging from 32\ifmmode\times\else\texttimes\fi{}32 to 256\ifmmode\times\else\texttimes\fi{}256.
The quantum easy-plane ferromagnetic two-dimensional XXZ model is approached by the pure-quantum self-consistent harmonic approximation that reduces it to an effective classical model. Quantum fluctuations weaken both the effective exchange, leading to a reduced Berezinskii-Kosterlitz-Thouless transition temperature with respect to the classical model, and the effective easy-plane anisotropy. The latter vanishes when the anisotropy is smaller than a cutoff value, leading to an instability that could be interpreted as a crossover to a strongly quantum regime where a picture of classical-like renormalized vortices is inadequate.
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.
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.
We consider the spin-1/2 antiferromagnetic Heisenberg model on the two-dimensional square-kagome lattice with almost dispersionless lowest magnon band. For a general exchange coupling geometry we elaborate low-energy effective Hamiltonians which emerge at high magnetic fields. The effective model to describe the low-energy degrees of freedom of the initial frustrated quantum spin model is the (unfrustrated) square-lattice spin-1/2 XXZ model in a z-aligned magnetic field. For the effective model we perform quantum Monte Carlo simulations to discuss the low-temperature properties of the square-kagome quantum Heisenberg antiferromagnet at high magnetic fields. We pay special attention to a magnetic-field driven Berezinskii–Kosterlitz– Thouless phase transition which occurs at low temperatures.