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arXiv:cond-mat/0003252 · Physical review. B, Condensed matter

Magnetic double structure for S=1 and S=1/2 mixed-spin systems

義博 宅島, Akihisa Koga, Norio Kawakami

Published Jun 1, 2000• 26 citations
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Abstract

We investigate the zero-temperature and the finite-temperature properties of the two-dimensional antiferromagnetic quantum spin system composed of the $s=1/2$ and $s=1$ spins. The spin excitation spectrum as well as the thermodynamic quantities are computed by means of the Schwinger-boson mean-field theory. We discuss how the magnetic double structure with the gapful and the gapless excitations is generated, and apply the results systematically to the Haldane gap system in a staggered magnetic field and also to the weakly coupled ferrimagnetic mixed-spin chains. It is confirmed that the results obtained are consistent with the experiments for the quasi-one-dimensional Haldane compounds ${R}_{2}{\mathrm{BaNiO}}_{5}.$

DOI
10.1103/physrevb.61.15189

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The Schwinger-boson mean-field theory (SBMFT) and the linearized tensor renormalization group (LTRG) methods are complementarily applied to explore the thermodynamics of the quantum ferromagnetic mixed spin (S, σ) chains. It is found that the system has double excitations, i.e. a gapless and a gapped excitation; the low-lying spectrum can be approximated by ωk∼Sσ2(S+σ)Jk2 with J the ferromagnetic coupling; and the gap between the two branches is estimated to be △ ∼ J. The Bose-Einstein condensation indicates a ferromagnetic ground state with magnetization mtotz=N(S+σ). At low temperature, the spin correlation length is inversely proportional to temperature (T), the susceptibility behaviors as χ=a1∗1T2+a2∗1T, and the specific heat has the form of C=c1∗T−c2∗T+c3∗T32, with ai (i = 1, 2) and ci (i = 1, 2, 3) the temperature independent constants. The SBMFT results are shown to be in qualitatively agreement with those by the LTRG numerical calculations for S = 1 and σ = 1/2. A comparison of the LTRG results with the experimental data of the model material MnIINiII(NO2)4(en)2(en = ethylenediamine), is made, in which the coupling parameters of the compound are obtained. This study provides useful information for deeply understanding the physical properties of quantum ferromagnetic mixed spin chain materials.
The Schwinger-boson mean-field theory is applied to the quantum ferrimagnetic Heisenberg chain. There is a ferrimagnetic long-range order in the ground state. We observe two branches of the low-lying excitation and calculate the spin reduction, the gap of the antiferromagnetic branch, and the spin fluctuation at T=0K.T=0 \mathrm{K}.T=0K. These results agree with the established numerical results quite well. At finite temperatures, the long-range order is destroyed because of the disappearance of the Bose condensation. The thermodynamic observables, such as the free energy, magnetic susceptibility, specific heat, and the spin correlation at T>0K,T>0 \mathrm{K},T>0K, are calculated. The $T{\ensuremath{\chi}}_{\mathrm{uni}}$ has a minimum at intermediate temperatures and the spin-correlation length behaves as ${T}^{\ensuremath{-}1}$ at low temperatures. These qualitatively agree with the numerical results and the difference is small at low temperatures.
We study the low-lying excitations and thermodynamic properties of a ferrimagnetic Heisenberg two-leg ladder, which is composed of alternating-spin (1/2, 1) double chains with antiferromagnetic coupling between the chains. The spin excitation spectra as well as the corresponding energy gaps are calculated by means of the Schwinger-boson mean-field theory. The two interactions between the chains and along the chains play an important role in determining the two branches of the spectrum, not only regarding the size of the low-lying excitation energy gap but also the bandgap between the optical spectrum and the acoustic spectrum. In addition, the two energy gaps and the specific heat have also been calculated at low temperatures.
Calculations of the thermodynamic quantities, and the spectra of spinons, triplet excitations, and two-particle spin-singlet (Δ S z = 0,±1) excitations for a weakly coupled antiferromagnetic S = 1/2 spin chain are made using a mean-field approximation for the interchain couplings ( J 2 ) by the quantum Monte Carlo method. The mass gaps in these excitation spectra are estimated as functions of the interchain coupling. The critical field H c , and the temperatures at which the spinon and singlet gaps close ( T 1 and T 2 , respectively) are obtained. Some peculiarities of the staggered magnetization, the specific heat, and the spin-spin correlation function are found at T 1 = 0.9 J 2 , T 2 = 1.5 J 2 , H c = 3.8 J 2 , as determined by linear function fitting for J 2 / J 1 <0.15. The intrachain and interchain couplings, and the staggered magnetization for KCuF 3 , Sr 2 CuO 3 , and Ca 2 CuO 3 are estimated, and mass gaps are predicted to exist in the spectra of the spinons and the singlet two-particle excitations.
The one-dimensional spin-1 Heisenberg antiferromagnetic chains are studied by a generalized two-time Green's-function method at finite temperature. 〈Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 is set to zero at each site to guarantee the lack of the long-range order in the one-dimensional Heisenberg system. The Green's functions are decoupled in terms of the correlation functions of spin operators. A set of self-consistent equations of the correlation functions are derived and solved numerically. Correlation functions of spin operators, thermodynamic properties such as the internal energy, and specific heat in the entire temperature region are obtained. The Haldane gap in the excitation spectrum appears naturally in the analytical result. When k is zero, there is a gap 2\ensuremath{\Delta}, which is 1.0J and close to the theoretical result of White and Huse. And there is a broad maximum in the temperature dependence of the specific heat. The properties of the thermodynamic quantities are consistent with the numerical results on the finite chains. \textcopyright{} 1996 The American Physical Society.
By the numerical transfer-matrix method we have computed several thermal properties for a Heisenberg chain of 150 antiferromagnetically coupled spins with quantum number s = 1. We dispensed with any extrapolation to the infinite chain, because the results for the magnetization, the susceptibility, the correlation length, and the static structure factor at wave number q = π have been found to be insensitive to a further increase of the chain length in the temperature regime considered. The characteristic features of our results, that occur at sufficiently low temperatures and low applied fields, can convincingly be explained by the existence of a gap in the excitation spectrum of the order of 0.4 coupling constants and, therefore, nicely complement previous numerical results for corresponding ground-state properties. We have also performed computations for a chain with an additional single-site anisotropy. We find, for appropriate parameter values, excellent agreement with experimental data for the quasi-one-dimensional model compound NENP.