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arXiv:cond-mat/9705205 · Physical review. B, Condensed matter

Numerical study of the incommensurate phase in spin-Peierls systems

Adrian E. Feiguin, José A. Riera, A. Dobry, Hermenegildo Alejandro Ceccatto

Published Dec 1, 1997• 49 citations
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Abstract

We analyze several properties of the lattice solitons in the incommensurate phase of spin-Peierls systems using exact diagonalization and quantum Monte Carlo simulations. These systems are modeled by an antiferromagnetic Heisenberg chain with nearest- and next-nearest-neighbor interactions coupled to the lattice in the adiabatic approximation. Several relations among features of the solitons and magnetic properties of the system have been determined and compared with analytical predictions. We have studied in particular the relation between the soliton width and the spin-Peierls gap. Although this relation has the form predicted by bosonized field theories, we have found some important quantitative differences which could be relevant to describe experimental studies of spin-Peierls materials.

DOI
10.1103/physrevb.56.14607

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We analyze several properties of the lattice solitons in the incommensurate phase of spin-Peierls systems using exact diagonalization and quantum Monte Carlo simulations. These systems are modeled by an antiferromagnetic Heisenberg chain with nearest- and next-nearest-neighbor interactions coupled to the lattice in the adiabatic approximation. Several relations among features of the solitons and magnetic properties of the system have been determined and compared with analytical predictions. We have studied in particular the relation between the soliton width and the spin-Peierls gap. Although this relation has the form predicted by bosonized field theories, we have found some important quantitative differences which could be relevant to describe experimental studies of spin-Peierls materials.
The role of the spin-phonon coupling in spin-Peierls chains doped with spin-0 or spin-1 impurities is investigated by various numerical methods such as exact diagonalization, quantum Monte Carlo simulations and Density Matrix Renormalization Group. Various treatments of the lattice, in a fully quantum mechanical way, classically in the adiabatic approximation or using a fixed three-dimensional dimerization pattern are compared. For an isolated chain, strong bonds form between the two spin-1/2 sites next to the impurity site, leading to the appearance of magneto-elastic solitons. We also show that these excitations do not bind to spin-0 impurities but are weakly attracted by spin-1 impurities. However, the interchain elastic coupling generates an effective confining potential at the non-magnetic impurity site which can lead to the formation of soliton-impurity bound states. We also predict that a soliton and an antisoliton bound to two impurities on the same chain can annihilate each other when the separation between the impurities is smaller than a critical value depending on the interchain elastic constant.
Several exactly solvable quantum spin models with incommensurate magnetic structures, which manifest quantum phase transitions between incommensurate and commensurate phases, are proposed. The ground-state and thermodynamic characteristics of these quantum spin antiferromagnetic models with the Dzyaloshinsky-Moriya antisymmetric exchange interaction and spin-frustrating next-nearest-neighbor, three-spin, and four-spin (ring exchange) interactions are exactly studied. We investigated the ground state phases of the considered models, as function of the magnetic anisotropy, Dzyaloshinsky-Moriya interaction, next-nearest-neighbor coupling constants, and external magnetic field. Several quantum phase transitions between magnetically incommensurate phases and between incommensurate and ferromagnetic phases are predicted, and the behavior of thermodynamic characteristics of those models at phase transitions is studied. We have shown that for models with chiral three-spin interactions the Dzyaloshinsky-Moriya coupling yields the onset of the weak ferromagnetism, similar to three-dimensional ordered antiferromagnets, but not present in other quantum spin chains with the antisymmetric exchange. Considered models appeared to be important for several quasi-one-dimensional spin systems, studied in recent experiments.
We study the phase diagram, ground-state properties, and excitation gaps of a frustrated spin-Peierls chain, i.e., a spin-Peierls chain with both nearest-neighbor exchange J1{\mathit{J}}_{1}J1​ and next-nearest-neighbor exchange J2{\mathit{J}}_{2}J2​. The phase diagram is calculated using a bosonization renormalization-group method. We propose a bond-operator mean-field approximation to calculate the ground-state properties and excitation gaps.
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.
In the present work we aim to characterize the lattice configurations and the magnetic behavior in the incommensurate phase of spin-Peierls systems. This phase emerges when the magnetic exchange interaction is coupled to the distortions of an underlying triangular lattice and has its experimental realization in the quasi-one-dimensional compound family TiOXXX (X=ClX=\text{Cl}X=Cl, Br). With a simple model of spin-1/21/21/2 chains inserted in a planar triangular geometry which couples them elastically, we are able to obtain the uniform-incommensurate and incommensurate-dimerized phase transitions seen in these compounds. Moreover, we follow the evolution of the wave vector of the distortions with temperature inside the incommensurate phase. Finally, we predict gapless spin excitations for the intermediate phase of TiOXXX compounds along with incommensurate spin-spin correlations, offering to experimentalists a candidate to observe an exotic Luttinger liquidlike behavior.
We study the magnetic properties of two types of one-dimensional XXXXXX spin-12\frac{1}{2}21​ chains. The first type has only nearest-neighbor interactions which can be either antiferromagnetic or ferromagnetic, and the second type has both nearest-neighbor and next-nearest-neighbor interactions, but only antiferromagnetic in character. We study these systems in the presence of low magnetic fields both analytically and numerically. Comparison of results shows a close relation between the two systems, which is in agreement with results previously found in Heisenberg chains by means of a numerical real-space renormalization-group procedure.