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arXiv:1605.05609 · Physical review. B./Physical review. B

Size and temperature dependence of the line shape of ESR spectra of the XXZ antiferromagnetic chain

Hiroki Ikeuchi, Hans A. De Raedt, Sylvain Bertaina, Seiji Miyashita

Published Jan 4, 2017• 8 citations
arXivHTMLPDF

Abstract

The electron spin resonance spectrum of the $\mathit{XXZ}$ spin chain with finite length shows a double-peak structure at high temperatures around the electron paramagnetic resonance (EPR) frequency. This fact has been pointed out by direct numerical methods [S. El Shawish, O. C\'epas, and S. Miyashita, Phys. Rev. B 81, 224421 (2010); H. Ikeuchi, H. De Raedt, S. Bertaina, and S. Miyashita, Phys. Rev. B 92, 214431 (2015)]. The question of whether the double-peak structure survives in the thermodynamics is of particular interest. We study the size dependence of the line shape, including the even-odd effect. It is found that the peaks forming the double-peak structure are assigned to individual resonances, each of which is specified by the magnetizations of the resonating states $(M,M\ensuremath{-}1)$. To understand dependences, we decompose the spectrum into contributions from transitions specified by the magnetization, and we characterize the structure of the spectrum by individual contributions. We analyze the size dependence of each contribution individually by extending the moment method introduced by M. Brockman et al. to each component, and we find that the mean of each peak approaches the paramagnetic resonance point with $1/N$ (where $N$ is the length of the chain), which indicates that the separation of the peaks of the double-peak structure also vanishes inversely with the system size. We also study the temperature dependence of the structure. At low temperatures, the spectrum has a single peak with a finite width at a position with a finite shift from the frequency of EPR, as pointed out by the analysis of field-theoretical works [M. Oshikawa and I. Affleck, Phys. Rev. Lett. 82, 5136 (1999)]. The study of the temperature dependence of the spectrum shows how the high-temperature spectrum changes to the low-temperature one with a drastic broadening of the spectrum.

DOI
10.1103/physrevb.95.024402

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The ferromagnetically polarized gapped XXZ spin chain is studied at low temperatures. Utilizing only the one- and two-magnon spectrums and focusing on the magnon-creation contribution to the transverse dynamical susceptibility, we represent the latter in the form of the Dyson equation. Then, following the well known correspondence between the imaginary part of magnetic susceptibility and dynamical structure factor, we get the low-temperature formula for the magnon-peak lineshape. The suggested approach is effective only if the processes related to magnon creations and to transitions from magnons to coupled magnon pairs are energetically separated. As it is shown in the paper, such separation is inherent in the easy-axis chains with rather strong anisotropy. We present several plots and discuss their lineshapes. As the supplemental result we obtain integral representations for the temperature-dependent magnon resonance shift and the parameter which is usually associated with the decay rate. The low-temperature behavior of the resonance shift is studied in details. All calculations are performed up to controllable error $o({e}^{\ensuremath{-}\ensuremath{\beta}{E}_{\mathrm{gap}}})$.
Magnon peak lineshape in the transverse dynamical structure factor of a magnetically polarized easy-axis XXZXXZXXZ chain at low temperatures
The ferromagnetically polarized gapped XXZ spin chain is studied at low temperatures. Utilizing only the one- and two-magnon spectrums and focusing on the magnon-creation contribution to the transverse dynamical susceptibility, we represent the latter in the form of the Dyson equation. Then, following the well known correspondence between the imaginary part of magnetic susceptibility and dynamical structure factor, we get the low-temperature formula for the magnon-peak lineshape. The suggested approach is effective only if the processes related to magnon creations and to transitions from magnons to coupled magnon pairs are energetically separated. As it is shown in the paper, such separation is inherent in the easy-axis chains with rather strong anisotropy. We present several plots and discuss their lineshapes. As the supplemental result we obtain integral representations for the temperature-dependent magnon resonance shift and the parameter which is usually associated with the decay rate. The low-temperature behavior of the resonance shift is studied in details. All calculations are performed up to {\it controllable} error o(e−βEgap)o({\rm e}^{-βE_{gap}})o(e−βEgap​).
The dynamical mean-field-like theory of the electron spin resonance (ESR) in spin-1/2 chains with nearest and next-nearest neighbor interactions (or zigzag spin ladders) and alternation is developed. It is explained that either the magnetic anisotropy of spin-spin couplings or the Dzyaloshinskii-Moriya interaction causes shifts of the resonance position in spin chains, comparing to only magnetically isotropic interactions. The power of the ac ESR field, absorbed by the spin chain, is calculated. It is shown that the temperature dependence of the shift of the resonance position is related to the temperature dependence of the ESR absorption. Depending on the strength of next-nearest neighbor interactions, the shift of the ESR position can become either exponentially small or can be increased near quantum critical points. The absorbed by the alternating spin chain power of the ac magnetic field is calculated, manifesting two resonances. The influence of mentioned spin-spin interactions on the linewidth of the ESR is analyzed.
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The calculation of finite temperature electron spin resonance (ESR) spectra for concrete specified crystal configurations is a very important issue in the study of quantum spin systems. Although direct evaluation of the Kubo formula by means of numerical diagonalization yields exact results, memory and CPU time restrictions limit the applicability of this approach to small system sizes. Methods based on the time evolution of a single pure quantum state can be used to study larger systems. One such method exploits the property that the expectation value of the autocorrelation function obtained for a few samples of so-called thermal typical states yields a good estimate of the thermal equilibrium value. In this paper, we propose a new method based on a Wiener-Khinchin-like theorem for quantum system. By comparison with exact diagonalization results, it is shown that both methods yield correct results. As the Wiener-Khinchin-based method involves sampling over thermal typical states, we study the statistical properties of the sampling distribution. Effects due to finite observation time are investigated and found to differ for the two methods but it is also found that, for both methods, the effects vanish as the system size increases. We present ESR spectra of the one-dimensional XXZ Heisenberg chain of up to 28 spins and discuss the dependence of separation of double peaks on the chain length.