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Physical review. B, Condensed matter

Two-dimensionalXXZmodel on a square lattice: A Monte Carlo simulation

Alessandro Cuccoli, V. Tognetti, Ruggero Vaia

Published Oct 1, 1995• 88 citations
Publisher

Abstract

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.

DOI
10.1103/physrevb.52.10221

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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.
Abstract In this paper, we thoroughly examined the Berezinskii-Kosterlitz-Thouless (BKT) phase transition in the two-dimensional XY model on the honeycomb lattice. To address its thermodynamical behavior, we combined standard numerical Monte Carlo simulations with the simulated annealing (SA) protocol and entropic simulations based on the Wang-Landau (WL) algorithm. The transition temperature was determined using the second (ϒ) and fourth-order (ϒ4) helicity modulus as the order parameter. Our best finite-size scaling analysis suggests T BKT = 0.575(8) from SA and T BKT = 0.576(3) from WL. These values deviate significantly from the expected theoretical value of 1 / 2 . We believe that this discrepancy suggests that the theoretical assumptions regarding the analytical calculation may need to be revisited. Additionally, we calculated the vortex density and the formation energy of the vortex-antivortex pairs, where the obtained vortex formation energy is 2μ = 5.80(12). Upon comparison with the square lattice, our results support the notion of instability of the honeycomb lattice to support the spin long-range order and give additional backing to the critical behavior we found.
The Berezinskii-Kosterlitz-Thouless (BKT) phase transition in two-dimensional planar rotator and XYXYXY models on a square lattice, diluted by randomly placed vacancies, is studied here using hybrid Monte Carlo simulations that combine single spin flip, cluster, and over-relaxation techniques. The transition temperature Tc{T}_{c}Tc​ is determined as a function of vacancy density ${\ensuremath{\rho}}_{\mathrm{vac}}$ by finite-size scaling of the helicity modulus and the in-plane magnetic susceptibility. The results for Tc{T}_{c}Tc​ are consistent with those from the much less precise fourth-order cumulant of Binder. Tc{T}_{c}Tc​ is found to decrease monotonically with increasing ${\ensuremath{\rho}}_{\mathrm{vac}}$, and falls to zero close to the square lattice percolation limit, ${\ensuremath{\rho}}_{\mathrm{vac}}\ensuremath{\approx}0.41$. The result is physically reasonable: the quasi-long-range orientational order of the low-temperature phase cannot be maintained in the absence of sufficient spin interactions across the lattice.
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.
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.
We present detailed Monte Carlo results for the susceptibility \ensuremath{\chi}, correlation length \ensuremath{\xi}, and specific heat Cv{\mathit{C}}_{\mathit{v}}Cv​ for the XY model. The simulations are done on 642{64}^{2}642, 1282{128}^{2}1282, 2562{256}^{2}2562, and 5122{512}^{2}5122 lattices over the temperature range 0.98\ensuremath{\le}T\ensuremath{\le}1.43 corresponding to 270. Fits to \ensuremath{\chi} and \ensuremath{\xi} data favor a Kosterlitz-Thouless (KT) singularity over a second-order transition; however, unconstrained four-parameter KT fits do not confirm the predicted values \ensuremath{\nu}=0.5 and \ensuremath{\eta}=0.25. Our best estimate, Tc{\mathit{T}}_{\mathit{c}}Tc​=0.894(5), is obtained using KT fits with \ensuremath{\nu} fixed at 0.5. The exponent \ensuremath{\eta} is calculated as a function of temperature in the spin-wave phase using Monte Carlo renormalization-group and finite-size-scaling methods. Both methods give consistent results and we find \ensuremath{\eta}\ensuremath{\approxeq}0.235 at T=0.894. We also present results for the behavior of vortex density across the transition and exhibit how the dilute-gas approximation breaks down.
We calculate the Kosterlitz-Thouless transition temperature for the ferromagnetic classical XXZ\mathrm{XXZ}XXZ model on a square lattice for interactions of the out-of-plane spin components $\ensuremath{\lambda}$ varying between 0 and 1. We compare our theoretical calculations with Monte Carlo results of Cuccoli et al. [Phys. Rev. B 52, 10 221 (1995)]