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Physical Review

Statistical Mechanics of the Anisotropic Linear Heisenberg Model

Shigetoshi Katsura

Published Sep 1, 1962• 787 citations
Publisher

Abstract

The anisotropic Hamiltonian, $H=\ensuremath{-}\frac{1}{2}\ensuremath{\Sigma}({J}_{x}{{\ensuremath{\sigma}}_{l}}^{x}{{\ensuremath{\sigma}}_{l+1}}^{x}+{J}_{y}{{\ensuremath{\sigma}}_{l}}^{y}{{\ensuremath{\sigma}}_{l+1}}^{y}+{J}_{z}{{\ensuremath{\sigma}}_{l}}^{z}{{\ensuremath{\sigma}}_{l+1}}^{z})\ensuremath{-}m\mathcal{H}\ensuremath{\Sigma}{{\ensuremath{\sigma}}_{l}}^{z},$ of the linear spin array in the Heisenberg model of magnetism is examined. The eigenstate and the partition function for the case ${J}_{z}=0$ are obtained exactly for a finite system and for an infinite system with the aid of annihilation and creation operators, and the free energy $F$ of the latter is given by $\ensuremath{-}\frac{F}{\mathrm{NkT}}=(\frac{1}{\ensuremath{\pi}})\ensuremath{\int}{0}^{\ensuremath{\pi}}\mathrm{ln}{2cosh{[{{K}_{x}}^{2}+{{K}_{y}}^{2}+2{K}_{x}{K}_{y}cos2\ensuremath{\omega}\ensuremath{-}2C({K}_{x}+{K}_{y})cos\ensuremath{\omega}+{C}^{2}]}^{\frac{1}{2}}}d\ensuremath{\omega},$ where ${K}_{x}=\frac{{J}_{x}}{2kT}$, ${K}_{y}=\frac{{J}_{y}}{2kT}$, $C=\frac{m\mathcal{H}}{\mathrm{kT}}$. The case ${J}_{x}={J}_{y}={J}_{z}=J$ is discussed with the aid of a high-temperature expansion and of analysis of small systems. Specific heats and susceptibilities in special cases: (i) ${J}_{x}={J}_{y}=J$, ${J}_{z}=0$, (ii) ${J}_{x}=J$, ${J}_{y}={J}_{z}=0$, (${\mathrm{iii}}_{\mathrm{f}}$) ${J}_{x}={J}_{y}=0$, ${J}_{z}=J>0$, (${\mathrm{iii}}_{\mathrm{a}}$) ${J}_{x}={J}_{y}=0$, ${J}_{z}=J<0$, (${\mathrm{iv}}_{\mathrm{f}}$) ${J}_{x}={J}_{y}={J}_{z}=J>0$, (${\mathrm{iv}}_{\mathrm{a}}$) ${J}_{x}={J}_{y}={J}_{z}=J<0$ are compared and it is shown that (i), (${\mathrm{iii}}_{\mathrm{a}}$), and (${\mathrm{iv}}_{\mathrm{a}}$) have the characteristic features of the observed parallel susceptibility of an antiferromagnetic substance, (ii) those of perpendicular susceptibility, and (${\mathrm{iii}}_{\mathrm{f}}$) and (${\mathrm{iv}}_{\mathrm{f}}$) those of paramagnetic susceptibility, even though they have no singularities. The distribution of the zeros of the partition function is also discussed.

DOI
10.1103/physrev.127.1508

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The anisotropic Hamiltonian, H=\ensuremath−12\ensuremathΣ(Jx\ensuremathσlx\ensuremathσl+1x+Jy\ensuremathσly\ensuremathσl+1y+Jz\ensuremathσlz\ensuremathσl+1z)\ensuremath−mH\ensuremathΣ\ensuremathσlz,H=\ensuremath{-}\frac{1}{2}\ensuremath{\Sigma}({J}_{x}{{\ensuremath{\sigma}}_{l}}^{x}{{\ensuremath{\sigma}}_{l+1}}^{x}+{J}_{y}{{\ensuremath{\sigma}}_{l}}^{y}{{\ensuremath{\sigma}}_{l+1}}^{y}+{J}_{z}{{\ensuremath{\sigma}}_{l}}^{z}{{\ensuremath{\sigma}}_{l+1}}^{z})\ensuremath{-}m\mathcal{H}\ensuremath{\Sigma}{{\ensuremath{\sigma}}_{l}}^{z},H=\ensuremath−21​\ensuremathΣ(Jx​\ensuremathσl​x\ensuremathσl+1​x+Jy​\ensuremathσl​y\ensuremathσl+1​y+Jz​\ensuremathσl​z\ensuremathσl+1​z)\ensuremath−mH\ensuremathΣ\ensuremathσl​z, of the linear spin array in the Heisenberg model of magnetism is examined. The eigenstate and the partition function for the case Jz=0{J}_{z}=0Jz​=0 are obtained exactly for a finite system and for an infinite system with the aid of annihilation and creation operators, and the free energy FFF of the latter is given by \ensuremath−FNkT=(1\ensuremathπ)\ensuremath∫0\ensuremathπln2cosh[Kx2+Ky2+2KxKycos2\ensuremathω\ensuremath−2C(Kx+Ky)cos\ensuremathω+C2]12d\ensuremathω,\ensuremath{-}\frac{F}{\mathrm{NkT}}=(\frac{1}{\ensuremath{\pi}})\ensuremath{\int}{0}^{\ensuremath{\pi}}\mathrm{ln}{2cosh{[{{K}_{x}}^{2}+{{K}_{y}}^{2}+2{K}_{x}{K}_{y}cos2\ensuremath{\omega}\ensuremath{-}2C({K}_{x}+{K}_{y})cos\ensuremath{\omega}+{C}^{2}]}^{\frac{1}{2}}}d\ensuremath{\omega},\ensuremath−NkTF​=(\ensuremathπ1​)\ensuremath∫0\ensuremathπln2cosh[Kx​2+Ky​2+2Kx​Ky​cos2\ensuremathω\ensuremath−2C(Kx​+Ky​)cos\ensuremathω+C2]21​d\ensuremathω, where Kx=Jx2kT{K}_{x}=\frac{{J}_{x}}{2kT}Kx​=2kTJx​​, Ky=Jy2kT{K}_{y}=\frac{{J}_{y}}{2kT}Ky​=2kTJy​​, C=mHkTC=\frac{m\mathcal{H}}{\mathrm{kT}}C=kTmH​. The case Jx=Jy=Jz=J{J}_{x}={J}_{y}={J}_{z}=JJx​=Jy​=Jz​=J is discussed with the aid of a high-temperature expansion and of analysis of small systems. Specific heats and susceptibilities in special cases: (i) Jx=Jy=J{J}_{x}={J}_{y}=JJx​=Jy​=J, Jz=0{J}_{z}=0Jz​=0, (ii) Jx=J{J}_{x}=JJx​=J, Jy=Jz=0{J}_{y}={J}_{z}=0Jy​=Jz​=0, (iiif{\mathrm{iii}}_{\mathrm{f}}iiif​) Jx=Jy=0{J}_{x}={J}_{y}=0Jx​=Jy​=0, Jz=J>0{J}_{z}=J>0Jz​=J>0, (iiia{\mathrm{iii}}_{\mathrm{a}}iiia​) Jx=Jy=0{J}_{x}={J}_{y}=0Jx​=Jy​=0, Jz=J<0{J}_{z}=J<0Jz​=J<0, (ivf{\mathrm{iv}}_{\mathrm{f}}ivf​) Jx=Jy=Jz=J>0{J}_{x}={J}_{y}={J}_{z}=J>0Jx​=Jy​=Jz​=J>0, (iva{\mathrm{iv}}_{\mathrm{a}}iva​) Jx=Jy=Jz=J<0{J}_{x}={J}_{y}={J}_{z}=J<0Jx​=Jy​=Jz​=J<0 are compared and it is shown that (i), (iiia{\mathrm{iii}}_{\mathrm{a}}iiia​), and (iva{\mathrm{iv}}_{\mathrm{a}}iva​) have the characteristic features of the observed parallel susceptibility of an antiferromagnetic substance, (ii) those of perpendicular susceptibility, and (iiif{\mathrm{iii}}_{\mathrm{f}}iiif​) and (ivf{\mathrm{iv}}_{\mathrm{f}}ivf​) those of paramagnetic susceptibility, even though they have no singularities. The distribution of the zeros of the partition function is also discussed.
Linear chains (and rings) of S=12S=\frac{1}{2}S=21​ spins with the anisotropic (Ising-Heisenberg) Hamiltonian $\mathcal{H}=\ensuremath{-}2J\ensuremath{\Sigma}\stackrel{N}{i=1}{{{S}_{i}}^{z}{{S}_{i+1}}^{z}+\ensuremath{\gamma}({{S}_{i}}^{x}{{S}_{i+1}}^{x}+{{S}_{i}}^{y}{{S}_{i+1}}^{y})}\ensuremath{-}g\ensuremath{\beta}\ensuremath{\Sigma}\stackrel{N}{i=1}\mathrm{H}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathrm{S}}_{i}$ have been studied by exact machine calculations for N=2to11N=2 \mathrm{to} 11N=2to11, $\ensuremath{\gamma}=0 \mathrm{to} 1$ and for ferro- and antiferro-magnetic coupling. The results reveal the dependence on finite size and anisotropy of the spectrum and dispersion laws, of the energy, entropy, and specific heat, of the magnetization and susceptibilities, and of the pair correlations. The limiting $N\ensuremath{\rightarrow}\ensuremath{\infty}$ behavior is accurately indicated, for all $\ensuremath{\gamma}$, in the region kT∣J∣> 0.5\frac{\mathrm{kT}}{|J|}>~0.5∣J∣kT​> 0.5 which includes the maxima in the specific heat and susceptibility. The behavior of thermal and magnetic properties of infinite chains at lower temperatures is estimated by extrapolation. For infinite antiferromagnetic chains the ground-state degeneracy, the anisotropy gap, and the magnetization, perpendicular susceptibility, and pair correlations at T=0T=0T=0 are similarly studied. Estimates of the long-range order suggest that it vanishes only at the Heisenberg limit $\ensuremath{\gamma}=1$ and confirm the accuracy of Walker's perturbation series in $\ensuremath{\gamma}$.
The eigen-functions and eigen-values of finite three-dimensional Heisenberg models with anisotropy constant as a parameter (spin=1/2) were obtained exactly with the aid of group theoretical technique and by using a high speed computer. The calculated eigenvalues are identical with those obtained by Serber and Dresselhaus for the isotropic simple cubic 2×2×2 lattice. However, it was found that some terms in their full expressions were to be corrected. The zeros of the partition function of the above 2×2×2 lattice have been investigated as functions of the anisotropy parameter both in the complex temperature plane and in the complex magnetic field plane. Thermodynamic functions such as energy, specific heat, magnetization, and susceptibility have been numerically computed for these finite system.
The partition function of the one-dimensional Heisenberg model is considered. Hamiltonian of the system H=−12 ∑ [J⊥(σlxσl+1x+σlyσl+1y)+J∥σlzσl+1z]−mH ∑ σlzis expressed in terms of Fermi operators. The term which contains J∥, the quartic term and a part of quadratic term in Fermi operators, have been regarded as perturbation, keeping the symmetry with respect to the magnetic field. Linked-cluster expansion in an appropriate form for this case has been developed and the partition function has been obtained up to the third order in J∥. Numerical values of energy, specific heat, and susceptibility up to second order in J∥ are shown. The ground-state energy is EN|J⊥|=−2π−2π2(J∥|J⊥|)−16π3(16−π2144)(J∥J⊥)2+O[(J∥J⊥)3].E/N|J∥| for the antiferromagnetic case J∥ = −|J∥| = J is −0.8899. Agreement with the exact value, −0.8863, is quite satisfactory.
The low-temperature thermodynamic properties of a spin-\textonehalf{} one-dimensional random anisotropic (Heisenberg-Ising) antiferromagnet described by the Hamiltonian $H=\ensuremath{\Sigma}{i}^{}{J}_{i}({\ensuremath{\sigma}}_{x}^{i}{\ensuremath{\sigma}}_{x}^{i+1}+{\ensuremath{\sigma}}_{y}^{i}{\ensuremath{\sigma}}_{y}^{i+1}+\ensuremath{\gamma}{\ensuremath{\sigma}}_{z}^{i}{\ensuremath{\sigma}}_{z}^{i+1})$ are studied as a function of disorder and anisotropy. The Ji> 0{J}_{i}>~0Ji​> 0 are independent random variables obeying a probability distribution P(J)P(J)P(J), and $0<~\ensuremath{\gamma}<~\ensuremath{\infty}$. The approach used is a numerical implementation of a real-space renormalization-group (RG) method previously introduced. The isotropic Heisenberg case ($\ensuremath{\gamma}=1$), the XY\mathrm{XY}XY case ($\ensuremath{\gamma}=0$). and the Ising case ($\ensuremath{\gamma}=\ensuremath{\infty}$) are fixed points of the RG transformation. It is found that in the XY\mathrm{XY}XY region $\ensuremath{\gamma}<~1$, including the Heisenberg point, the system exhibits singular behavior in the thermodynamic properties for arbitrary probability distributions for the couplings. For the XY\mathrm{XY}XY limit ($\ensuremath{\gamma}=0$) this is in agreement with known exact results. The functional form for the low-temperature susceptibility is found to be $\ensuremath{\chi}\ensuremath{\sim}\frac{1}{(T{\mathrm{ln}}^{m}(\frac{T}{{T}_{0}}))}$ in the entire region $0<~\ensuremath{\gamma}<~1$ for arbitrary probability distributions. In the Ising region ($\ensuremath{\gamma}>1$) the susceptibility shows an approximate power-law divergence for small anisotropy but goes eventually to zero as $T\ensuremath{\rightarrow}0$. Possible relevance of these results to recent experiments on Qn(TCNQ)2{(\mathrm{TCNQ})}_{2}(TCNQ)2​ is discussed.
The eigenfunctions of a two-dimensional finite 3×3 lattice of Heisenberg model ( s =1/2) are obtained exactly with the aid of group theoretical technique and by using a computer. The eigenvalues of the anisotropic exchange Hamiltonian have been computed. The zeros of the partition function for the two-dimensional finite 3×3 lattice lie on the same unit circle in the complex magnetic field plane as those obtained in the three-dimensional finite 2×2×2 lattice. The zeros of the partition function obtained by coarse-graining of eigenvalues distribute on a line in the complex temperature plane. The thermodynamic quantities–specific heat, entropy, magnetization–has been numerically computed for ferro- and antiferromagnetic coupling. The critical index of the magnetization versus field is discussed on the basis of these numerical results.