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Acta Physica Sinica

Quantum lattice dynamical effects on the low-energy excitations in spin-Peierls systems

Xu Jing, Wang Zhi-Guo, Shi Yun-Long, Chen Yu-Guang, Chen Hong, (1)同济大学物理系,上海　200092; (2)雁北师范学院物理系,大同　037000; (3)雁北师范学院物理系,大同　037000；同济大学物理系,上海　200092；中国科学院上海技术物理研究所红外物理国家重点实验室，上海　200083

Published Jan 1, 2004• 2 citations
Publisher

Abstract

Using the bosonization technique and Gaussian wave functional method, we investi gate the low-energy excitations of a spin-Peierls chain where the spins interact with quantum phonons. The results show that the energy gap of the one- and two- particle excitation states decrease gradually when spin-phonon coupling constant decreases or the phonon frequency increases. A quantum phase transition from a gapless spin-fluid phase to a gapped dimerized phase occurs at a nonzero critica l value of the spin-phonon coupling. Our results indicate that the two-particle excitation spectrum is much more sensitive to spin-phonon coupling constant than the one-particle excitation spectrum.

DOI
10.7498/aps.53.3882

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Physical review. B, Condensed matter•Dec 1, 1997•18 citations
Using the bosonization technique and Gaussian wave functional method, we investi gate the low-energy excitations of a spin-Peierls chain where the spins interact with quantum phonons. The results show that the energy gap of the one- and two- particle excitation states decrease gradually when spin-phonon coupling constant decreases or the phonon frequency increases. A quantum phase transition from a gapless spin-fluid phase to a gapped dimerized phase occurs at a nonzero critica l value of the spin-phonon coupling. Our results indicate that the two-particle excitation spectrum is much more sensitive to spin-phonon coupling constant than the one-particle excitation spectrum.
In the continuum limit, we map a Heisenberg chain model, in which the spins are explicitly coupled to the lattice degrees of freedom, to one-dimensional quantum sine-Gorden model, and obtain the phase diagram and excitation spectrum of the system. The effect of quantum lattice fluctuation on the ground-state properties of the system is discussed in detail. The results show that a quantum phase transition from a gapless state to gapped dimerized phase occurs at nonzero value of the spin-phonon coupling. Moreover, our results indicate that the two-magnon excitation spectrum is more sensitive to the spin-phonon coupling than the one-magnon excitation spectrum.
Summary: The interplay of charge, spin and lattice degrees of freedom is studied for quasi-one-dimensional electron and spin systems coupled to quantum phonons. Special emphasis is put on the influence of the lattice dynamics on the Peierls transition. Using exact diagonalization techniques the ground-state and spectral properties of the Holstein model of spinless fermions and of a frustrated Heisenberg model with magneto-elastic coupling are analyzed on finite chains. In the non-adiabatic regime a (T = 0) quantum phase transition from a gapless Luttinger-liquid/spin-fluid state to a gapped dimerized phase occurs at a nonzero critical value of the electron/spin-phonon interaction. To study the nature of the spin-Peierls transition at finite temperatures for the infinite system, an alternative Green’s function approach is applied to the magnetostrictive XY model. With increasing phonon frequency the structure factor shows a remarkable crossover from soft-mode to central-peak behaviour. The results are discussed in relation to recent experiments on CuGeO3. 1
Using a one-dimensional antiferromagnetic Heisenberg chain model with spin-phonon interaction, the effects of quantum lattice fluctuations on the phase diagram and correlation functions in the ground state of the spin-Peierls system are investigated by developing an analytical approach based on the unitary transformation method. To study the nonadiabatic case, the Green's function method is used to implement the perturbation treatment. We show that when the spin-phonon coupling constant decreases or phonon frequency increases, the lattice dimerization and the spin dimerization gap decrease gradually. At some finite critical value, the Peierls dimerization is destroyed by the quantum lattice fluctuations and the system becomes gapless. The inverse-square-root singularity of the density of states at the gap edge in the adiabatic case disappears because of the nonadiabatic effect, which is consistent with the measurement of the optical absorption spectrum in quasi-one-dimensional spin-Peierls systems. The dimerization gap is much more reduced by the quantum lattice fluctuations than the spin dimer order parameter is. This could result in a true spin dimerization gap that is smaller than the activation energy of the optical absorption spectrum.
The density-matrix renormalization-group method is used to investigate the spin-Peierls transition for Heisenberg spins coupled to quantized phonons. We use a phonon spectrum that interpolates between a gapped, dispersionless (Einstein) limit to a gapless, dispersive (Debye) limit. A variety of theoretical probes are used to determine the quantum phase transition, including energy gap crossing, a finite-size scaling analysis, bond-order autocorrelation functions, and bipartite quantum entanglement. All these probes indicate that in the antiadiabatic phonon limit a quantum phase transition of the Berezinskii-Kosterlitz-Thouless type is observed at a nonzero spin-phonon coupling, gc{g}_{\text{c}}gc​. An extrapolation from the Einstein limit to the Debye limit is accompanied by an increase in gc{g}_{\text{c}}gc​ for a fixed optical $(q=\ensuremath{\pi})$ phonon gap. We therefore conclude that the dimerized ground state is more unstable with respect to Debye phonons with the introduction of phonon-dispersion renormalizing the effective spin-lattice coupling for the Peierls-active mode. We also show that the staggered spin-spin and phonon displacement order parameters are unreliable means of determining the transition.
Using a new version of the density-matrix renormalization group we determine the phase diagram of a model of an antiferromagnetic Heisenberg spin chain where the spins interact with quantum phonons. A quantum phase transition from a gapless spin-fluid state to a gapped dimerized phase occurs at a nonzero value of the spin-phonon coupling. The transition is in the same universality class as that of a frustrated spin chain, to which the model maps in the diabatic limit. We argue that realistic modeling of known spin-Peierls materials should include the effects of quantum phonons.
An analytical approach, based on the unitary transformation method, has been developed to study the effect of quantum lattice fluctuations on the ground state of an XY\mathrm{XY}XY spin-Peierls chain, which is equivalent to the spinless Su-Schrieffer-Heeger model in half-filling after the Jordan-Wigner transformation. We show that when the spin-phonon coupling constant ${\ensuremath{\alpha}}^{2}/4K$ decreases or the phonon frequency ${\ensuremath{\omega}}_{\ensuremath{\pi}}$ increases, the lattice dimerization and the gap in the fermion spectrum decrease gradually. At some critical value $({\ensuremath{\alpha}}^{2}{/4K)}_{c}$ or ${\ensuremath{\omega}}_{\ensuremath{\pi}c},$ the system becomes gapless and the lattice dimerization disappears. This can be attributed to the fact that the ground state fails to develop the spin-Peierls long-range order because of the quantum lattice fluctuations.