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Physical review. B, Condensed matter

Limitations of spin-wave theory in T=0 spin dynamics

James H. Taylor, Gerhard H. Muller

Published Aug 1, 1983• 29 citations
Publisher

Abstract

The $T=0$ dynamics of a family of one-dimensional quantum spin systems with fully ordered (ferromagnetic or spin-flop) ground states is investigated. By rigorous calculations, it is demonstrated that the $T=0$ dynamic structure factor is, in general, not a $\ensuremath{\delta}$ function as predicted by linear spin-wave theory but characterized by more complicated structures with nonzero linewidths. The exact result approaches the spin-wave result in the classical limit $s\ensuremath{\rightarrow}\ensuremath{\infty}$. The results of this study demonstrate how quantum effects may invalidate spin-wave theory even in the presence of saturated magnetic long-range order. Hence the failure of spin-wave theory is not necessarily linked to the absence or strong reduction of long-range order typical for one-dimensional quantum spin systems. The unreliability of spin-wave theory has therefore to be suspected also for the dynamics of three-dimensional quantum spin systems where the long-range order is always strong at $T=0$.

DOI
10.1103/physrevb.28.1529

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Physical review. B, Condensed matter•Aug 1, 1981•432 citations
The T=0T=0T=0 dynamics of a family of one-dimensional quantum spin systems with fully ordered (ferromagnetic or spin-flop) ground states is investigated. By rigorous calculations, it is demonstrated that the T=0T=0T=0 dynamic structure factor is, in general, not a \ensuremathδ\ensuremath{\delta}\ensuremathδ function as predicted by linear spin-wave theory but characterized by more complicated structures with nonzero linewidths. The exact result approaches the spin-wave result in the classical limit s\ensuremath→\ensuremath∞s\ensuremath{\rightarrow}\ensuremath{\infty}s\ensuremath→\ensuremath∞. The results of this study demonstrate how quantum effects may invalidate spin-wave theory even in the presence of saturated magnetic long-range order. Hence the failure of spin-wave theory is not necessarily linked to the absence or strong reduction of long-range order typical for one-dimensional quantum spin systems. The unreliability of spin-wave theory has therefore to be suspected also for the dynamics of three-dimensional quantum spin systems where the long-range order is always strong at T=0T=0T=0.
The usual spin-wave theory, when applied to the calculation of rotationally invariant averages in the Heisenberg model, permits exact calculation of static and dynamical correlation functions in one dimension. The results are also believed to be exact in two dimensions, although this has not been show rigorously here. The one-dimensional ferromagnet in the hydrodynamic regime and the two-dimensional ferromagnet at all wave vectors do not satisfy the dynamical scaling hypothesis. There is no characteristic exponent in these cases. The present results contradict the prediction of the mode-coupling theory.
The one-dimensional Heisenberg antiferromagnet with 8=1/2 is treated with the use of the Fermi operators and an additional condition that the long-range order is absent.Our spin wave spectrum of a one-dimensional Heisenberg antiferromagnet without longrange order is expressed by andThis is in good agreement with the exact spin wave spectrum role =1!'/2lsin kl which is obtained by des Cloizeaux and Pearson at T=O.Correlation functions <S1S2> and <SlSs> are in good agreement with the exact value at T=O, also.Thermodynamic properties of this system agree with those of Bulaevskii and those of Katsura and Inawashiro. § I. IntroductionThe one-dimensional Heisenberg antiferromagnet has been investigated by many authors.Most of previous theories have been for either zero or infinite temperatures.Recently various experiment on (CD3) 4NMnCl 3 (TMMC)ll requires further theoretical work of a Heisenberg linear-chain magnet for finite temperatures.The experimental results of linear antiferromagnet show that at low temperatures there are long-lived spin waves in spite of the absence of long-range order.At T= 0, the spin wave spectrum, wqoc I sin ql, is gained approximately by Anderson 2 l and exactly by des Cloizeaux and Pearson.8 l Recently Richards, 4 l Scales and Gersh, 5 l Kondo and Yamaji 6 l obtained the spin wave spectrum of linear antiferromagnet at finite temperatures with the use of the second-order Green's function theory.The spin wave spectrum, however, does not show exactly wqoc I sin ql at finite temperatures.
The T=0 dynamics of the one-dimensional s= 1 / 2 planar antiferromagnet is studied by an approach which consists of exact analytic calculations in the Bethe formalism and numerical finite-chain calculations on rings up to 10 spins. The method makes use of well known critical exponents for the correlation functions and of exact sum rules. The authors obtain approximate analytic expressions for both the out-of-plane and the in-plane dynamic structure factors, and for related quantities such as integrated intensities, susceptibilities and autocorrelation functions. The results are discussed in relation to possible experiments on quasi-1D magnetic compounds at low T. The calculations make clear that the T=0 dynamic structure factors are dominated by two-parameter continua of excitations rather than by single branches of spin-waves as predicted by classical spin-wave theory. By varying the planar anisotropy the autocorrelation functions display interesting features in their longtime asymptotic behaviour, such as a crossover from a uniform power-law decay to an oscillatory decay and a crossover between oscillatory decays with different frequencies. They conjecture a possibility of approaching the classical limit s= infinity starting from the quantum limit s= 1 / 2 . This provides a qualitative, and in some aspects even quantitative, understanding of the dynamical behaviour of s> 1 / 2 systems in terms of a quantum approach.
On the basis of the method of equation of motion, the ground states of the quantum spin systems with a long-range order are studied. The equations of motion for the spin operators are linearized by introduction of the effective field, which is the order parameter itself. The linearized equations of motion and the use of approximate commutation relations for spin operators lead to the boson representation of the systems. It is emphasized that in the ground state with the long-range order along the x -axis, the relationship ( S j y ) 2 +( S j z ) 2 =1/2 should be retained in the average. By use of the above constraint for spin fluctuations, the values of the long-range order and ground-state energy are calculated within the boson approximation. The results agree well with ones obtained by different methods.
Spin-dynamical calculations on one-dimensional systems have relied heavily on classical ($s=\ensuremath{\infty}$) theories, despite abundant evidence that quantum effects can be extremely important at low temperatures. We present a new approach to the spin dynamics of the one-dimensional isotropic s=12s=\frac{1}{2}s=21​ Heisenberg antiferromagnetic (HB AF) which does not involve the many-body techniques usually employed. It is based on analytic Bethe ansatz calculations of excitation energies and densities of states combined with finite-chain calculations of matrix elements. An important feature of our method is the use of rigorous selection rules and the introduction of new selection rules, which are valid for macroscopic systems in a magnetic field. We show that in zero field the dynamical two-spin correlation function ${S}_{\ensuremath{\mu}\ensuremath{\mu}}(q,\ensuremath{\omega})$ at T=0T=0T=0 is governed by a two-parameter continuum of spin-wave-type excitations. In nonzero field, the longitudinal component ${S}_{\mathrm{zz}}(q,\ensuremath{\omega})$ and the transverse components ${S}_{\mathrm{xx}}(q,\ensuremath{\omega})\ensuremath{\equiv}{S}_{\mathrm{yy}}(q,\ensuremath{\omega})$ behave quite differently because they are dominated by different continua of excitations. The former is characterized by a lowest excitation branch with a zero-frequency mode moving from the zone boundary ($q=\ensuremath{\pi}$) towards the zone center (q=0q=0q=0) as the field increases, whereas the latter is characterized by a lowest branch with a zero frequency mode moving from $q=0 \mathrm{to} \ensuremath{\pi}$ with increasing field. The first part of our work features an approximate analytic expression for ${S}_{\ensuremath{\mu}\ensuremath{\mu}}(q,\ensuremath{\omega})$ at zero temperature and in zero field. Although our expression is not rigorous, exact sum rules are violated only by a small amount, and good agreement exists with the few known exact results. Our studies are extended to nonzero temperatures by placing major reliance on exact finite-chain calculations. Our work was stimulated by recent neutron scattering experiments and is oriented towards experimental comparisons. Our result for the s=12s=\frac{1}{2}s=21​ integrated intensity is in much better agreement with neutron scattering data on CuCl2{\mathrm{Cl}}_{2}Cl2​\ifmmode\cdot\else\textperiodcentered\fi{}2N(C5{\mathrm{C}}_{5}C5​D5{\mathrm{D}}_{5}D5​) (CPC) than the corresponding semiclassical result. Moreover, the spectral-weight distribution in ${S}_{\ensuremath{\mu}\ensuremath{\mu}}(q,\ensuremath{\omega})$ shows increasing asymmetry as $q\ensuremath{\rightarrow}\ensuremath{\pi}$, a quantum effect, again in agreement with more recent neutron scattering data. The second part of our work deals with the effects of an applied magnetic field. We extend the analytic work of Ishimura and Shiba to obtain expressions for the energies and densities of states of the various excitation continua. It is shown that these continua are expected to give rise to multiple structures in the scattering intensity. Our results appear to be in quantitative agreement with preliminary results of a neutron study in CPC in a field of 70 kOe, revealing anomalous scattering intensity peaks. Our results repeatedly demonstrate the inadequacy of classical spin-wave theory for this problem. They call for additional experimental studies on quasi-one-dimensional antiferromagnets to examine other unusual and interesting phenomena predicted by our approach.