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arXiv:cond-mat/0411256 · Physical Review B

Adiabatic-antiadiabatic crossover in a spin-Peierls chain

R. Citro, E. Orignac, Thierry Giamarchi

Published Jul 15, 2005• 38 citations
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Abstract

We consider an $XXZ$ spin-$1∕2$ chain coupled to optical phonons with nonzero frequency ${\ensuremath{\omega}}_{0}$. In the adiabatic limit (small ${\ensuremath{\omega}}_{0}$), the chain is expected to spontaneously dimerize and open a spin gap, while the phonons become static. In the antiadiabatic limit (large ${\ensuremath{\omega}}_{0}$), phonons are expected to give rise to frustration, so that dimerization and formation of spin gap are obtained only when the spin-phonon interaction is large enough. We study this crossover using bosonization technique. The effective action is solved both by the self-consistent harmonic approximation (SCHA) and by renormalization group (RG) approach starting from a bosonized description. The SCHA allows to analyze the low-frequency regime and determine the coupling constant associated with the spin-Peierls transition. However, it fails to describe the SU(2) invariant limit. This limit is tackled by the RG. Three regimes are found. For ${\ensuremath{\omega}}_{0}⪡{\ensuremath{\Delta}}_{s}$, where ${\ensuremath{\Delta}}_{s}$ is the gap in the static limit ${\ensuremath{\omega}}_{0}\ensuremath{\rightarrow}0$, the system is in the adiabatic regime, and the gap remains of order ${\ensuremath{\Delta}}_{s}$. For ${\ensuremath{\omega}}_{0}>{\ensuremath{\Delta}}_{s}$, the system enters the antiadiabatic regime, and the gap decreases rapidly as ${\ensuremath{\omega}}_{0}$ increases. Finally, for ${\ensuremath{\omega}}_{0}>{\ensuremath{\omega}}_{\mathit{BKT}}$, where ${\ensuremath{\omega}}_{\mathit{BKT}}$ is an increasing function of the spin-phonon coupling, the spin gap vanishes via a Berezinskii-Kosterlitz-Thouless transition. Our results are discussed in relation with numerical and experimental studies of spin-Peierls systems.

DOI
10.1103/physrevb.72.024434

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We consider an XXZXXZXXZ spin-1∕21∕21∕2 chain coupled to optical phonons with nonzero frequency \ensuremathω0{\ensuremath{\omega}}_{0}\ensuremathω0​. In the adiabatic limit (small \ensuremathω0{\ensuremath{\omega}}_{0}\ensuremathω0​), the chain is expected to spontaneously dimerize and open a spin gap, while the phonons become static. In the antiadiabatic limit (large \ensuremathω0{\ensuremath{\omega}}_{0}\ensuremathω0​), phonons are expected to give rise to frustration, so that dimerization and formation of spin gap are obtained only when the spin-phonon interaction is large enough. We study this crossover using bosonization technique. The effective action is solved both by the self-consistent harmonic approximation (SCHA) and by renormalization group (RG) approach starting from a bosonized description. The SCHA allows to analyze the low-frequency regime and determine the coupling constant associated with the spin-Peierls transition. However, it fails to describe the SU(2) invariant limit. This limit is tackled by the RG. Three regimes are found. For \ensuremathω0⪡\ensuremathΔs{\ensuremath{\omega}}_{0}⪡{\ensuremath{\Delta}}_{s}\ensuremathω0​⪡\ensuremathΔs​, where \ensuremathΔs{\ensuremath{\Delta}}_{s}\ensuremathΔs​ is the gap in the static limit \ensuremathω0\ensuremath→0{\ensuremath{\omega}}_{0}\ensuremath{\rightarrow}0\ensuremathω0​\ensuremath→0, the system is in the adiabatic regime, and the gap remains of order \ensuremathΔs{\ensuremath{\Delta}}_{s}\ensuremathΔs​. For \ensuremathω0>\ensuremathΔs{\ensuremath{\omega}}_{0}>{\ensuremath{\Delta}}_{s}\ensuremathω0​>\ensuremathΔs​, the system enters the antiadiabatic regime, and the gap decreases rapidly as \ensuremathω0{\ensuremath{\omega}}_{0}\ensuremathω0​ increases. Finally, for \ensuremathω0>\ensuremathωBKT{\ensuremath{\omega}}_{0}>{\ensuremath{\omega}}_{\mathit{BKT}}\ensuremathω0​>\ensuremathωBKT​, where \ensuremathωBKT{\ensuremath{\omega}}_{\mathit{BKT}}\ensuremathωBKT​ is an increasing function of the spin-phonon coupling, the spin gap vanishes via a Berezinskii-Kosterlitz-Thouless transition. Our results are discussed in relation with numerical and experimental studies of spin-Peierls systems.
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.
The spin-Peierls instability in a spin- XY chain coupled to dispersionless phonons of frequency has been studied in the non-adiabatic limit. We have chosen the Lang-Firsov variational wavefunction for the phonon subsystem to obtain an effective spin Hamiltonian. The effective spin Hamiltonian is then solved in the framework of the mean-field approximation and bond operator technique. We observed two types of phase transitions, one is from the spin liquid phase to the dimerized phase and the other is from the dimerized phase to the antiferromagnetic phase as we vary the spin-phonon coupling from a very low value. The variation of lattice distortion, dimerized order parameter and energy gap with spin-phonon coupling parameter have also been investigated here.
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.
We use the density matrix renormalization group (DMRG) to map out the ground state of an XY spin chain coupled to dispersionless phonons of frequency $\ensuremath{\omega}$. We confirm the existence of a critical spin-phonon coupling ${\ensuremath{\alpha}}_{c}\ensuremath{\propto}{\ensuremath{\omega}}^{0.7}$ for the onset of the spin gap bearing the signature of a Kosterlitz-Thouless transition. We also observe a classical-quantum crossover when the spin-Peierls gap $\ensuremath{\Delta}$ is of order $\ensuremath{\omega}$. In the classical regime $\ensuremath{\Delta}>\ensuremath{\omega}$, the mean-field parameters are strongly renormalized by nonadiabatic corrections. This is the first application of the DMRG to phonons.
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.
Using the model of the DM interaction in XYXYXY antiferromagnetic spin chain with spin-phonon coupling, the nonadiabatic effects on the DM interaction have been studied by developing a nonadiabatic analytical approach. The results show that in the nonadiabatic case, to a certain finite phonon frequency, there exists a finite critical value of spin-phonon coupling. As the spin-phonon coupling decreases to the critical value, the system becomes gapless and the spin dimerization is destroyed. The DM interaction leads the system to have a finite critical value of spin-phonon coupling even in the adiabatic limit. The increase in staggered DM interaction will decrease the critical value of spin-phonon coupling, but increase that of phonon frequency, therefore, favors the dimerization. The nonadiabaticity plays an important role in suppressing the enhancement effects of the DM interaction to the dimerization. The dimerized ground state when DM interaction is present can be destroyed by the quantum lattice fluctuations. The threshold value of $\ensuremath{\beta}$ changing the effect of the DM interaction on the dimerization from suppression to promotion is not simply a constant but a crossover. For appropriate fixed values of spin-phonon coupling, phonon frequency and $\ensuremath{\beta}$, as DDD increases, the system undergoes a reentry of phase between spin-dimer state and gapless state.