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arXiv:cond-mat/9710332 · Physical review. B, Condensed matter

Elementary excitations of Heisenberg ferrimagnetic spin chains

Shoji Yamamoto, S. Brehmer, H.-J. Mikeska

Published Jun 1, 1998• 114 citations
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Abstract

We numerically investigate elementary excitations of the Heisenberg alternating-spin chains with two kinds of spins, 1 and $1/2,$ antiferromagnetically coupled to each other. Employing a recently developed efficient Monte Carlo technique as well as an exact-diagonalization method, we verify the spin-wave argument that the model exhibits two distinct excitations from the ground state which are gapless and gapped. The gapless branch shows a quadratic dispersion in the small-momentum region, which is of the ferromagnetic type. With the intention of elucidating the physical mechanism of both excitations, we make a perturbation approach from the decoupled-dimer limit. The gapless branch is directly related to spin 1's, while the gapped branch originates from cooperation of the two kinds of spins.

DOI
10.1103/physrevb.57.13610

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We numerically investigate elementary excitations of the Heisenberg alternating-spin chains with two kinds of spins, 1 and 1/2,1/2,1/2, antiferromagnetically coupled to each other. Employing a recently developed efficient Monte Carlo technique as well as an exact-diagonalization method, we verify the spin-wave argument that the model exhibits two distinct excitations from the ground state which are gapless and gapped. The gapless branch shows a quadratic dispersion in the small-momentum region, which is of the ferromagnetic type. With the intention of elucidating the physical mechanism of both excitations, we make a perturbation approach from the decoupled-dimer limit. The gapless branch is directly related to spin 1's, while the gapped branch originates from cooperation of the two kinds of spins.
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The ground-state phase diagram of S=2S=2S=2 antiferromagnetic Heisenberg chains with coexisting uniform and alternating single-site anisotropies is investigated by the numerical exact diagonalization and density matrix renormalization group methods. We find the Haldane, large-DDD, Néel, period-doubled Néel, gapless spin fluid, quantized and partial ferrimagnetic phases. The Haldane phase is limited to the close neighborhood of the isotropic point. Within numerical accuracy, the transition from the gapless spin-fluid phase to the period-doubled Néel phase is a direct transition. Nevertheless, the presence of a narrow spin-gap phase between these two phases is suggested on the basis of the low-energy effective theory. The ferrimagnetic ground state is present in a wide parameter range. This suggests the realization of magnetized single-chain magnets with a uniform spin magnitude by controlling the environment of each magnetic ion without introducing ferromagnetic interactions.
We study the properties of the ground state and the low-lying excited states of an alternating spin-1 and spin-12\frac{1}{2}21​ antiferromagnetic chain with ferromagnetic next-nearest-neighbor coupling with a variety of methods, namely, spin-wave analysis, density-matrix renormalization-group (DMRG) method, and exact-diagonalization method. The ground state of this model with 2N2N2N spins is ferrimagnetic with the total spin SG=N∕2{S}_{G}=N∕2SG​=N∕2 for all parameter values. In the long chain limit, a gapless excitation is found with characteristics of goldstone mode of the ferromagnetic order with total spin $S={S}_{G}\ensuremath{-}1$. The lowest gapped excitation, however, exists in the total spin S=SG+1S={S}_{G}+1S=SG​+1 sector. Interestingly, we find that with the increase in ferromagnetic coupling, spin-wave gapped excitation becomes lower than the massless mode for the large wave numbers. Correspondingly, from DMRG analysis we find that the excitation in the total spin S=SG+1S={S}_{G}+1S=SG​+1 is lower than that in the total spin $S={S}_{G}\ensuremath{-}1$ when the size of the chain is short and the ferromagnetic interaction is large. Characteristics of these excitations are also reflected in the low temperature thermodynamic quantities, where the low-energy properties are strongly affected by the system size and the coupling strength.
The natural explanation of the excitation spectrum of the spin-1 antiferromagnetic Heisenberg chain is given from the viewpoint of the spin-1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain. The energy spectrum of the latter is calculated with fixed momentum kkk by numerical diagonalization of finite size systems. It consists of a branch of propagating triplet pair (triplet wave) and the continuum of multiple triplet waves for weak ferromagnetic coupling. As the ferromagnetic coupling increases, the triplet wave branch is absorbed in the continuum for small kkk, reproducing the characteristics of the spin-1 antiferromagnetic Heisenberg chain.
The natural explanation of the excitation spectrum of the spin-1 antiferromagnetic Heisenberg chain is given from the viewpoint of the spin-1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain. The energy spectrum of the latter is calculated with fixed momentum k by numerical diagonalization of finite size systems. It consists of a branch of propagating triplet pair (triplet wave) and the continuum of multiple triplet waves for weak ferromagnetic coupling. As the ferromagnetic coupling increases, the triplet wave branch is absorbed in the continuum for small k, reproducing the characteristics of the spin-1 antiferromagnetic Heisenberg chain.
Static and dynamic structure factors of Heisenberg ferrimagnetic spin chains are numerically investigated. There exist two distinct branches of elementary excitations, which exhibit ferromagnetic and antiferromagnetic aspects. The ferromagnetic feature is smeared out with the increase of temperature, whereas the antiferromagnetic one persists up to higher temperatures. The scattering intensity is remarkably large at lower boundaries of the ferromagnetic and antiferromagnetic spectra. All these observations are consistent with the ferromagnetic-to-antiferromagnetic crossover in the thermal behavior which has recently been reported.