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arXiv:0807.4693 · Physical Review Letters

Thermally Activated Peierls Dimerization in Ferromagnetic Spin Chains

Jesko Sirker, Alexander Herzog, Andrzej M. Oleś, Peter Horsch

Published Oct 9, 2008• 50 citations
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Abstract

We demonstrate that a Peierls dimerization can occur in ferromagnetic spin chains activated by thermal fluctuations. The dimer order parameter and entanglement measures are studied as functions of the modulation of the magnetic exchange interaction and temperature, using a spin-wave theory and the density-matrix renormalization group. We discuss the case where a periodic modulation is caused by spin-phonon coupling and the case where electronic states effectively induce such a modulation. The importance of the latter for a number of transition metal oxides is highlighted.

DOI
10.1103/physrevlett.101.157204

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We demonstrate that a Peierls dimerization can occur in ferromagnetic spin chains activated by thermal fluctuations. The dimer order parameter and entanglement measures are studied as functions of the modulation of the magnetic exchange interaction and temperature, using a spin-wave theory and the density-matrix renormalization group. We discuss the case where a periodic modulation is caused by spin-phonon coupling and the case where electronic states effectively induce such a modulation. The importance of the latter for a number of transition metal oxides is highlighted.
We describe a Peierls dimerization which occurs in ferromagnetic spin chains at finite temperature, within the modified spin-wave theory. Usual spin-wave theory is modified by introducing a Lagrange multiplier which enforces a nonmagnetic state at finite temperature. It is shown that this method gives results in excellent agreement with the density–matrix renormalization group applied to transfer matrices for dimerized ferromagnetic chains. We study bond correlation functions ( S i · S i+1 ) and explore the characteristic features of dimerization in the specific heat.
Ferromagnetic, in contrast to antiferromagnetic, Heisenberg chains can undergo a spin-Peierls dimerization only at finite temperatures. They show reentrant behavior as a function of temperature, which might play a role for systems with small effective elastic constants as, for example, monatomic chains on surfaces. We investigate the physical properties of the dimerized ferromagnetic Heisenberg chain using a modified spin-wave theory. We calculate the exponentially decaying spin- and dimer-correlation functions, analyze the temperature dependence of the corresponding coherence lengths, the susceptibility, as well as the static and dynamic spin-structure factors. By comparing with numerical data obtained by the density-matrix renormalization group applied to transfer matrices, we find that the modified spin-wave theory yields excellent results for all these quantities for a wide range of dimerizations and temperatures.
We use the density matrix renormalization group method to investigate the role of longitudinal quantized phonons on the Peierls transition in the spin-Peierls model. For both the XY and Heisenberg spin-Peierls model we show that the staggered phonon order parameter scales as sqrt[lambda] (and the dimerized bond order scales as lambda) as lambda-->0 (where lambda is the electron-phonon interaction). This result is true for both linear and cyclic chains. Thus, we conclude that the Peierls transition occurs at lambda=0 in these models. Moreover, for the XY spin-Peierls model we show that the quantum predictions for the bond order follow the classical prediction as a function of inverse chain size for small lambda. We therefore conclude that the zero lambda phase transition is of the mean-field type.
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.
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.