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Journal of Physics C Solid State Physics

On correlations at long times in Heisenberg paramagnets

Hans C. Fogedby, A. P. Young

Published Feb 14, 1978• 4 citations
Publisher

Abstract

The low-frequency, long-wavelength properties of a paramagnet in d dimensions are studied within the framework of a non-linear Langevin equation. The frequency and wave-vector dependent transport coefficient Gamma (k, omega ) has a singular part which varies as omega d/2 at k=0 so its time Fourier transform decays as t -(1+d 2)/, in contrast to the assumptions of linearised hydrodynamics according to which Gamma (k,t) decays rapidly in a microscopic time. Both reversible and irreversible processes give contributions to this effect but with opposite signs. The latter contribution is non vanishing as k to 0 only because we include a drift term in the Langevin equation which depends explicitly on the energy density. The consequences of this generalisation of the usual Langevin equation are investigated in detail in a perturbation expansion.

DOI
10.1088/0022-3719/11/3/015

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The low-frequency, long-wavelength properties of a paramagnet in d dimensions are studied within the framework of a non-linear Langevin equation. The frequency and wave-vector dependent transport coefficient Gamma (k, omega ) has a singular part which varies as omega d/2 at k=0 so its time Fourier transform decays as t -(1+d 2)/, in contrast to the assumptions of linearised hydrodynamics according to which Gamma (k,t) decays rapidly in a microscopic time. Both reversible and irreversible processes give contributions to this effect but with opposite signs. The latter contribution is non vanishing as k to 0 only because we include a drift term in the Langevin equation which depends explicitly on the energy density. The consequences of this generalisation of the usual Langevin equation are investigated in detail in a perturbation expansion.
We use the functional renormalization approach for quantum spin systems developed by Krieg and Kopietz [Phys. Rev. B 99, 060403(R) (2019)] to calculate the spin-spin correlation function $G(\mathbit{k},\ensuremath{\omega})$ of quantum Heisenberg magnets at infinite temperature. For small wave vectors $\mathbit{k}$ and frequencies $\ensuremath{\omega}$ we find that $G(\mathbit{k},\ensuremath{\omega})$ assumes in dimensions d>2d>2d>2 the diffusive form predicted by hydrodynamics. In three dimensions our result for the spin-diffusion coefficient D\mathcal{D}D is somewhat smaller than previous theoretical predictions based on the extrapolation of the short-time expansion, but is still about 3030%30 larger than the measured high-temperature value of D\mathcal{D}D in the Heisenberg ferromagnet ${\mathrm{Rb}}_{2}{\mathrm{CuBr}}_{4}\ifmmode\cdot\else\textperiodcentered\fi{}2{\mathrm{H}}_{2}\mathrm{O}$. In reduced dimensions $d\ensuremath{\le}2$ we find superdiffusion characterized by a frequency-dependent complex spin-diffusion coefficient $\mathcal{D}(\ensuremath{\omega})$ which diverges logarithmically in d=2d=2d=2, and as a power-law $\mathcal{D}(\ensuremath{\omega})\ensuremath{\propto}{\ensuremath{\omega}}^{\ensuremath{-}1/3}$ in d=1d=1d=1. Our result in one dimension implies scaling with dynamical exponent z=3/2z=3/2z=3/2, in agreement with recent calculations for integrable spin chains. Our approach is not restricted to the hydrodynamic regime and allows us to calculate the dynamic structure factor $S(\mathbit{k},\ensuremath{\omega})$ for all wave vectors. We show how the short-wavelength behavior of $S(\mathbit{k},\ensuremath{\omega})$ at high temperatures reflects the relative sign and strength of competing exchange interactions.
We present new results on the time-dependent correlation functions Ξn(t) =4〈Sξ0(t)Sξn〉, ξ=x,y at zero temperature of the one-dimensional S=1/2 isotropic XY model (h=γ=0) and of the transverse Ising model (TI) at the critical magnetic field (h=γ=1). Both models are characterized by special cases of the Hamiltonian H=−J∑l[(1+γ)SxlSxl+1 +(1−γ)SylSyl+1 +hSzl]. We have derived exact results on the long-time asymptotic expansions of the autocorrelation functions (ACF’s) Ξ0(t) and on the singularities of their frequency-dependent Fourier transforms Φξξ0(ω). We have also determined the latter functions by high-precision numerical calculations. The functions Φξξ0(ω), ξ=x,y have singularities at the infinite sequence of frequencies ω=mω0, m=0, 1, 2, 3, ... where ω0=J for the XY model and ω0=2J for the TI model. In both models the singularities in Φxx0 (ω) for m=0, 1 are divergent, whereas the nonanalyticities at higher frequencies become increasingly weaker. We point out that the nonanalyticities at ω≠0 are intrinsic features of the discrete quantum chain and have therefore not been found in the context of a continuum analysis.
Extensive spin-dynamics simulations have been performed to study the dynamical behavior of the classical Heisenberg chain at infinite temperatures and long wavelengths. We find that the energy and spin show distinctly different dynamics in the isotropic system. The energy correlation function follows the classical diffusion theory prediction, namely, it decays exponentially with q2{\mathit{q}}^{2}q2t. In contrast, the spin correlation function is found to decay exponentially as q2.12{\mathit{q}}^{2.12}q2.12t lnt, implying a logarithmically divergent diffusion constant and the failure of the usual hydrodynamic assumptions.
Carboni and Richards have performed exact numerical calculations of the time-dependent two-spin correlation function 〈S1z(t)S1z(0)〉〈{{S}_{1}}^{z}(t){{S}_{1}}^{z}(0)〉〈S1​z(t)S1​z(0)〉 as $T\ensuremath{\rightarrow}\ensuremath{\infty}$ for a finite one-dimensional Heisenberg system. The non-Gaussian character of their result was characterized by a steep rise near zero frequency for the Fourier transform. We show here that these characteristics result from the inclusion of a Lorentzian form for $S(k, \ensuremath{\omega})$, the paramagnetic scattering function at small wave vectors. We also prove that ${〈{{S}_{1}}^{z}(t){{S}_{1}}^{z}(0)〉}_{\ensuremath{\omega}}$, the time Fourier transform of 〈S1z(t)S1z(0)〉〈{{S}_{1}}^{z}(t){{S}_{1}}^{z}(0)〉〈S1​z(t)S1​z(0)〉 in the $T\ensuremath{\rightarrow}\ensuremath{\infty}$ limit, obeys the inequality ${〈{{S}_{1}}^{z}(t){{S}_{1}}^{z}(0)〉}_{\ensuremath{\omega}}\ensuremath{\ge}\mathrm{const}\ifmmode\times\else\texttimes\fi{}\mathrm{ln}|\frac{1}{\ensuremath{\omega}}|$ as $\ensuremath{\omega}\ensuremath{\rightarrow}0$ for a one-dimensional system. We discuss the probable divergence of the same quantity in two dimensions.
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.
This thesis is concerned with the investigation of static and dynamic properties of quantum Heisenberg paramagnets in the absence of a magnetic field and therefore for vanishing magnetization. For this purpose a new formulation of the spin functional renormalization group (SFRG) is employed. The first manifestations of the SFRG were developed by Krieg and Kopietz, motivated by the FRG approach to ordinary field theories and the older works of Vaks, Larkin and Pikin on diagrammatic methods for spin operators. The main idea is to study quantum spin systems by considering the evolution of correlation functions under a continuous deformation of the interaction between magnetic moments, starting from a solvable limit. This leads to nonperturbative results for quantities like the spin-spin correlation function. After a basic introduction to the phenomena and concomitant problems discussed in this thesis, a detailed description of the SFRG method in its initial formulation is given in the second chapter. We start with the generating functional of connected imaginary-time spin-correlation functions GΛ [h], for which an exact flow equation is derived. A particular issue, already pointed out by Krieg and Kopietz, arises here, namely the singular non-interacting limit of its subtracted Legendre transform ΓΛ [m]. As a consequence the initial condition of that functional does not have a proper series expansion in powers of m. This prevents us from working directly within a pure one-particle irreducible (1-PI) parametrization of the correlation functions, as is often done in the context of field theories. Thus motivated, we develop a workaround explicitly tailored to paramagnets, which provides us with a functional that has a well-behaved Legendre transform. The new approach is based on a different treatment of fluctuations at zero and finite frequencies, analogous to a previous hybrid formulation for the symmetry-broken phase. Certain properties, considered to be highly relevant for isotropic paramagnets, as well as previous observations, already made in the study of simpler spin systems like the Ising model, serve as additional justifications for choosing this construction. In the third chapter our new method is assessed by calculating the dynamic susceptibility G(k, iω) and thus the dynamic structure factor S(k, ω) in the symmetric phase. For this purpose an approximate integral equation for the dynamic polarization function Π̃(k, iω) was derived. This equation results from a truncation of the hierarchy of flow equations and contains static quantities, that are assumed to be known from another source. Our first application is the high-temperature limit T → ∞ in d ≤ 3 dimensions. Salient features, believed to be part of the spin dynamics in isotropic Heisenberg magnets are also exhibited by our solution, like (anomalous) diffusion in a suitable hydrodynamic limit. Moreover we obtain the same order of magnitude for the diffusion coefficient D as in experiments and other theoretical calculations. Other aspects do not entirely agree with previous approaches. Afterwards we continue by investigating systems close to the critical point Tc. Dynamic scaling forms for Π̃(k, iω) and S(k, ω), which, like spin diffusion, are postulated on the basis of quite general physical arguments, are reproduced. Agreement of the line-shapes 2with neutron scattering experiments at T = Tc is found to be satisfying, with deviations for ω → 0, that may be attributed to the simplicity of the approximation, like at infinite temperature. Finally, we focus our attention on the thermodynamic properties of isotropic Heisenberg paramagnets by calculating the static susceptibility G(k). For this purpose we employ simple truncation schemes of the flow equations for the static self-energy ΣΛ (k) and four-spin vertex ΓΛ , together with a basic ansatz for the dynamic polarization Π̃(k, iω) in quantum systems. As a result we obtain transition temperatures Tc of three-dimensional nonfrustrated magnets within an accuracy of 5 percent compared to established benchmark values from Quantum Monte Carlo and high temperature expansion series. We conclude this chapter by giving an outlook on the application of our method to frustrated systems, which may require a combined non-trivial calculation of static and dynamic properties.