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Physical review. B, Condensed matter

Spin diffusion in the one-dimensionals=1/2XXZmodel at infinite temperature

Markus Böhm, V. S. Viswanath, Joachim Stolze, Gerhard H. Muller

Published Jun 1, 1994• 19 citations
Publisher

Abstract

Time-dependent spin-autocorrelation functions at T=\ensuremath{\infty} and (in particular) their spectral densities for the bulk spin and the boundary spin of the semi-infinite spin-1/2 XXZ model (with exchange parameters ${\mathit{J}}_{\mathit{x}}$=${\mathit{J}}_{\mathit{y}}$\ensuremath{\equiv}J, ${\mathit{J}}_{\mathit{z}}$) are investigated on the basis of (i) rigorous bounds in the time domain and (ii) a continued-fraction analysis in the frequency domain. We have found strong numerical evidence for spin diffusion in quantum spin models. For ${\mathit{J}}_{\mathit{z}}$/J increasing from zero, the results of the short-time expansion indicate a change of the bulk-spin xx-autocorrelation function from Gaussian decay to exponential decay. The continued-fraction analysis of the same dynamic quantity signals a change from exponential decay to power-law decay as ${\mathit{J}}_{\mathit{z}}$/J approaches unity and back to a more rapid decay upon further increase of that parameter. By contrast, the change in symmetry at ${\mathit{J}}_{\mathit{z}}$/J=1 has virtually no impact on the bulk-spin zz-autocorrelation function (as expected). Similar contrasting properties are observable in the boundary-spin autocorrelation functions.

DOI
10.1103/physrevb.49.15669

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Time-dependent spin-autocorrelation functions at T=\ensuremath{\infty} and (in particular) their spectral densities for the bulk spin and the boundary spin of the semi-infinite spin-1/2 XXZ model (with exchange parameters Jx{\mathit{J}}_{\mathit{x}}Jx​=Jy{\mathit{J}}_{\mathit{y}}Jy​\ensuremath{\equiv}J, Jz{\mathit{J}}_{\mathit{z}}Jz​) are investigated on the basis of (i) rigorous bounds in the time domain and (ii) a continued-fraction analysis in the frequency domain. We have found strong numerical evidence for spin diffusion in quantum spin models. For Jz{\mathit{J}}_{\mathit{z}}Jz​/J increasing from zero, the results of the short-time expansion indicate a change of the bulk-spin xx-autocorrelation function from Gaussian decay to exponential decay. The continued-fraction analysis of the same dynamic quantity signals a change from exponential decay to power-law decay as Jz{\mathit{J}}_{\mathit{z}}Jz​/J approaches unity and back to a more rapid decay upon further increase of that parameter. By contrast, the change in symmetry at Jz{\mathit{J}}_{\mathit{z}}Jz​/J=1 has virtually no impact on the bulk-spin zz-autocorrelation function (as expected). Similar contrasting properties are observable in the boundary-spin autocorrelation functions.
The spectral densities of dynamical spin autocorrelation functions at infinite temperature are studied for the S=1/2XXZ model (with exchange couplings Jx{\mathit{J}}_{\mathit{x}}Jx​=Jy{\mathit{J}}_{\mathit{y}}Jy​\ensuremath{\equiv}J,Jz{\mathit{J}}_{\mathit{z}}Jz​) on the linear chain, the square lattice, and the simple cubic lattice. The low-frequency behavior of a given spectral density is inferred from certain characteristic properties of its continued-fraction coefficients as determined from computed frequency moments. The analysis yields estimates for the Jz{\mathit{J}}_{\mathit{z}}Jz​/J dependence of the infrared-singularity exponent. In the d=1 case, the exponent for spin fluctuations perpendicular to the O(2) symmetry axis responds sensitively as the anisotropy parameter sweeps across the O(3) symmetry point Jz{\mathit{J}}_{\mathit{z}}Jz​/J=1, while the exponent for the parallel fluctuations shows little variation. In the cases d=2 and d=3 the same observations are made for autocorrelation functions of aggregate spins in chains and lattice planes, respectively.
Time-dependent spin autocorrelation functions and their spectral densities for the semi-infinite one-dimensional 1 XY and XXZ models at T= oo are determined in part by rigorous calculations in the fermion representation and in part by the recursion method in the spin representation. Boundary effects yield valuable new insight into the different dynamical processes which govern the transport of spin fluctuations in the two models. The results obtained for the X X X model bear the unmistakable signature of spin diffusion in the form of a squareroot infrared divergence in the spectral density.
Dynamic spin correlation functions 〈Six{\mathit{S}}_{\mathit{i}}^{\mathit{x}}Six​(t)Sjx{\mathit{S}}_{\mathit{j}}^{\mathit{x}}Sjx​〉 for the one-dimensional S=1/2 XX model H=-Jtsumi{\mathit{Jtsum}}_{\mathit{i}}Jtsumi​{Six{\mathit{S}}_{\mathit{i}}^{\mathit{x}}Six​Si+1x{\mathit{S}}_{\mathit{i}+1}^{\mathit{x}}Si+1x​+Siy{\mathit{S}}_{\mathit{i}}^{\mathit{y}}Siy​Si{\mathit{S}}_{\mathit{i}}Si​ $_{+1}^{\mathit{y}}\mathrm{}}$ are calculated exactly for finite open chains with up to N=10 000 spins. Over a certain time range the results are free of finite-size effects and thus represent correlation functions of an infinite chain (bulk regime) or a semi-infinite chain (boundary regime). In the bulk regime, the long-time asymptotic decay as inferred by extrapolation is Gaussian at T=\ensuremath{\infty}, exponential at 0T\ensuremath{\infty}, and power law (\ensuremath{\sim}${\mathit{t}}^{\mathrm{\ensuremath{-}}1/2}$) at T=0, in agreement with exact results. In the boundary regime, a power-law decay is obtained at all temperatures; the characteristic exponent is universal at T=0 (\ensuremath{\sim}${\mathit{t}}^{\mathrm{\ensuremath{-}}1}$) and at 0T\ensuremath{\infty}(\ensuremath{\sim}${\mathit{t}}^{\mathrm{\ensuremath{-}}3/2}$), but is site dependent at T=\ensuremath{\infty}. In the high-temperature regime (T/J\ensuremath{\gg}1) and in the low-temperature regime (T/J\ensuremath{\ll}1), crossovers between different decay laws can be observed in 〈Six{\mathit{S}}_{\mathit{i}}^{\mathit{x}}Six​(t)Sjx{\mathit{S}}_{\mathit{j}}^{\mathit{x}}Sjx​〉. Additional crossovers are found between bulk-tpe and boundary-type decay for i=j near the boundary, and between spacelike and timelike behavior for i\ensuremath{\ne}j.
A coupled-mode theory of spin fluctuations in the d-dimensional Heisenberg magnet at infinite temperature is used to predict the time dependence of various spin correlation functions. The real-space spin autocorrelation function is shown to have a long-time behaviour approximately (1/t) d theta / where theta =(4+d)/2. Properties at intermediate values of the time are extracted from the theory by numerical analysis. In this time window, the reciprocal-lattice spin autocorrelation function, G(q, t), is, to a good approximation, an exponential function of time. The decay rate is proportional to q alpha , where q is the wavevector. Analysis of our numerical data indicates that the exponent alpha depends weakly on d, and it is significantly different from the value 2 which is compatible with a spin diffusion model. In the asymptotic limit, defined by q to 0, t to infinity , and q 2 t to 0, G(q,t) is a function of a single variable=(tq theta ). This result rules against the validity of a diffusion model also in the asymptotic limit.
We study spin transport in the one-dimensional anisotropic S=1S=1S=1 Heisenberg model. Particular emphasis is given to dynamics at infinite temperature, where current autocorrelations and spatiotemporal correlation functions are obtained by means of an efficient pure-state approach based on the concept of typicality. Our comprehensive numerical analysis unveils that high-temperature spin transport is diffusive in the easy-axis regime for strong exchange anisotropies. This finding is based on the combination of numerous signatures, such as (i) Gaussian spreading of correlations, (ii) a time-independent diffusion coefficient, (iii) power-law decay of equal-site correlations, (iv) exponentially decaying long-wavelength modes, and (v) Lorentzian line shapes of the dynamical structure factor. Moreover, we provide evidence that some of these signatures are not exclusively restricted to the infinite-temperature limit but can persist at lower temperatures as well, where we complement our results by additional quantum Monte Carlo simulations of large systems. In contrast to the easy-axis regime, we show that in the case of an isotropic chain, the signatures (i)--(v) are much less pronounced or even entirely absent, suggesting the existence of anomalous spin transport despite the nonintegrability of the model. Eventually, upon introducing a random on-site magnetic field, we observe a breakdown of diffusion and distinctly slower dynamics. In particular, our results exhibit qualitative similarities to disordered spin-1/21/21/2 chains and might be consistent with the onset of many-body localization in the S=1S=1S=1 model for sufficiently strong disorder.
The long-time behavior of the infinite temperature spin correlation functions describing the free induction decay in nuclear magnetic resonance and intermediate structure factors in inelastic neutron scattering is considered. These correlation functions are defined for one-, two- and three-dimensional infinite lattices of interacting spins, both classical and quantum. It is shown that, even though the characteristic time-scale of the long-time decay of the correlation functions considered is non-Markovian, the generic functional form of this decay is either simple exponential or exponential multiplied by cosine. This work contains (i) the summary of the existing experimental and numerical evidence of the above asymptotic behavior; (ii) theoretical explanation of this behavior; and (iii) semi-empirical analysis of various factors discriminating between the monotonic and the oscillatory long-time decays. The theory is based on a fairly strong conjecture that, as a result of chaos generated by spin dynamics, a Brownian-like Markovian description can be applied to the long-time properties of ensemble average quantities on a non-Markovian time-scale. The formalism resulting from that conjecture can be described as "correlated diffusion in finite volumes."