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Progress of Theoretical Physics Supplement

Spin-Peierls Transition inS=1 Antiferromagnetic Heisenberg Chains

Hiroaki Onishi, Seiji Miyashita

Published Jan 1, 2002• 2 citations
Publisher

Abstract

We investigate a one-dimensional S=1 antiferromagnetic Heisenberg model coupled to lattice distortion by a quantum Monte Carlo method. The instability to a dimerized chain in the ground state depends on the value of the elastic constant, unlike the case of S=1/2. We find the first-order transition between a uniform Haldane state and a dimerized state. The two non-magnetic states coexist in the ground state and a domain-wall structure is observed.

DOI
10.1143/ptps.145.182

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We investigate a one-dimensional S=1 antiferromagnetic Heisenberg model coupled to lattice distortion by a quantum Monte Carlo method. The instability to a dimerized chain in the ground state depends on the value of the elastic constant, unlike the case of S=1/2. We find the first-order transition between a uniform Haldane state and a dimerized state. The two non-magnetic states coexist in the ground state and a domain-wall structure is observed.
We investigate a one-dimensional S=1S=1S=1 antiferromagnetic Heisenberg model coupled to a lattice distortion by a quantum Monte Carlo method. Investigating the ground-state energy of the static bond-alternating chain, we find that the instability to a dimerized chain depends on the value of the spin-phonon coupling, unlike the case of S=12.S=\frac{1}{2}.S=21​. The spin state is the dimer state or the uniform Haldane state depending on whether the lattice distorts or not, respectively. At an intermediate value of the spin-phonon coupling, we find the first-order transition between the two states. We also find the coexistence of the two states.
Finite-size scaling calculations for deformable Heisenberg chains with spin value S=(1/2, 1, (3/2, and 2 indicate that as far as the spin-Peierls transition is concerned, the model with any spin S>(1/2 behaves differently from the S=(1/2 situation. For S=(1/2 the ground state of the isotropic antiferromagnetic or planar models is dimerized, irrespective of the strength of the elastic constant. On the other hand, from the extrapolation of finite-chain results it seems that for any higher-spin value the dimerized and uniform phases are separated by a finite critical value of the elastic constant, and the transition is discontinuous.
The spin-Peierls transition in the ground state of a quasi-one-dimensional spin-1/2 Heisenberg model coupled to adiabatic bond phonons is studied using a quantum Monte Carlo (QMC) method. The transition from a gapless Neel state to a spin-gapped Peierls state is explored in the parameter space spanned by the spatial anisotropy and the strength of spin-lattice coupling. It is found that for any finite inter-chain coupling, the transition to a dimerized Peierls ground state occurs only when the spin-lattice coupling exceeds a finite, non-zero critical value. This is in contrast to the pure 1D model, where adiabatic phonons lead to a dimerized ground state for any non-zero spin-phonon coupling. The phase diagram in the above parameter space is mapped out. No evidence is found for a region of co-existing long range magnetic order and dimerization. The vanishing of the Neel order occurs simultaneously with the setting in of the dimerization.
The quantum phase transition between a spin gap state and an antiferromagnetic phase is investigated. We study S =1/2 antiferromagnetic Heisenberg chains coupled by antiferromagnetic interchain interaction. The intrachain exchanges have alternating strength. The phase boundary between the antiferromagnetically ordered phase and a spin gap phase is also obtained in a parameter space of the amplitude of the interchain coupling and the dimerization. The spin-wave approximation substantially overestimates the antiferromagnetic phase. The competition between the long range order and the spin gap is examined in detail. We estimate a variety of critical exponents at the transition, namely, exponents ν, θ and z defined as the exponent of the correlation length, the magnetization curve and the dynamical exponent, respectively. From the quantum Monte Carlo simulation, the exponents ν, θ and z are estimated to be unity. The exponents ν and θ are different from the estimated values in one dimension. It suggests that the universality changes due to the dimensionality change. In our estimates, the exponent ν does not agree with the prediction from three dimensional classical Heisenberg model. We also discuss the relevance of our result to spin-Peierls systems with lattice distortion.
The zero and finite temperature spin-Peierls transitions in a quasi-one-dimensional spin-12\frac{1}{2}21​ Heisenberg model coupled to adiabatic bond phonons is investigated using the stochastic series expansion (SSE) quantum Monte Carlo (QMC) method. The quantum phase transition from a gapless N\'eel state to a spin-gapped Peierls state is studied in the parameter space spanned by spatial anisotropy, interchain coupling strength, and spin-lattice coupling strength. It is found that for any finite interchain coupling, the transition to a dimerized Peierls ground state only occurs when the spin-lattice coupling exceeds a finite, nonzero critical value. This is in contrast to the pure 1D model (zero interchain coupling), where adiabatic/classical phonons lead to a dimerized ground state for any nonzero spin-phonon interaction. The phase diagram in the parameter space shows that for a strong interchain coupling, the relation between the interchain coupling and the critical value of the spin-phonon interaction is linear whereas for weak interchain coupling, this behavior is found to have a natural logarithmlike relation. No region was found to have a long range magnetic order and dimerization occurring simultaneously. Instead, the N\'eel state order vanishes simultaneously with the setting in of the spin-Peierls state. For the thermal phase transition, a continuous heat capacity with a peak at the critical temperature Tc{T}_{c}Tc​ shows a second order phase transition. The variation of the equilibrium bond length distortion ${\ensuremath{\delta}}_{eq}$ with temperature showed a power law relation which decayed to zero as the temperature was increased to Tc{T}_{c}Tc​, indicating a continuous transition from the dimerized phase to a paramagnetic phase with uniform bond length and zero antiferromagnetic susceptibility.