Relevance of nonadiabatic effects in TiOCl

We analyze the effect of the phonon dynamics on a recently proposed model for the uniform-incommensurate transition seen in TiOX compounds. The study is based on a recently developed formalism for nonadiabatic spin-Peierls systems based on bosonization and a mean field RPA approximation for the interchain coupling. To reproduce the measured low temperature spin gap, a spin-phonon coupling quite bigger than the one predicted from an adiabatic approach is required. This high value is compatible with the renormalization of the phonons in the high temperature phase seen in inelastic x-ray experiments. Our theory accounts for the temperature of the incommensurate transition and the value of the incommensurate wave vector at the transition point.Comment: 4 pages, 2 figure

From spinons to magnons in explicit and spontaneously dimerized antiferromagnetic chains

We reconsider the excitation spectra of a dimerized and frustrated antiferromagnetic Heisenberg chain. This model is taken as the simpler example of compiting spontaneous and explicit dimerization relevant for Spin-Peierls compounds. The bosonized theory is a two frequency Sine-Gordon field theory. We analize the excitation spectrum by semiclassical methods. The elementary triplet excitation corresponds to an extended magnon whose radius diverge for vanishing dimerization. The internal oscilations of the magnon give rise to a series of excited state until another magnon is emited and a two magnon continuum is reached. We discuss, for weak dimerization, in which way the magnon forms as a result of a spinon-spinon interaction potential.Comment: 5 pages, latex, 3 figures embedded in the tex

Excitations with fractional spin less than 1/2 in frustrated magnetoelastic chains

We study the magnetic excitations on top of the plateaux states recently discovered in spin-Peierls systems in a magnetic field. We show by means of extensive density matrix renormalization group (DMRG) computations and an analytic approach that one single spin-flip on top of $M=1-\frac2N$ ($N=3,4,...$) plateau decays into $N$ elementary excitations each carrying a fraction $\frac1N$ of the spin. This fractionalization goes beyond the well-known decay of one magnon into two spinons taking place on top of the M=0 plateau. Concentrating on the $\frac13$ plateau (N=3) we unravel the microscopic structure of the domain walls which carry fractional spin-$\frac13$, both from theory and numerics. These excitations are shown to be noninteracting and should be observable in x-ray and nuclear magnetic resonance experiments.Comment: 6 pages, 5 figures. Accepted to be published in Phys. Rev.

Domain excitations in spin-Peierls systems

We study a model of a Spin-Peierls material consisting of a set of antiferromagnetic Heisenberg chains coupled with phonons and interacting among them via an inter-chain elastic coupling. The excitation spectrum is analyzed by bosonization techniques and the self-harmonic approximation. The elementary excitation is the creation of a localized domain structure where the dimerized order is the opposite to the one of the surroundings. It is a triplet excitation whose formation energy is smaller than the magnon gap. Magnetic internal excitations of the domain are possible and give the further excitations of the system. We discuss these results in the context of recent experimental measurements on the inorganic Spin-Peierls compound CuGeO$_3$Comment: 5 pages, 2 figures, corrected version to appear in Phys. Rev.

Microscopic theory for the incommensurate transition in TiOCl

We propose a microscopic mechanism for the incommensurate phase in TiOX compounds. The model includes the antiferromagnetic chains of Ti ions immersed in the phonon bath of the bilayer structure. Making use of the Cross-Fisher theory, we show that the geometrically frustrated character of the lattice is responsible for the structural instability which leads the chains to an incommensurate phase without an applied magnetic field. In the case of TiOCl, we show that our model is consistent with the measured phonon frequencies at $T=300K$ and the value of the incommensuration vector at the transition temperature. Moreover, we find that the dynamical structure factor shows a progressive softening of an incommensurate phonon near the zone boundary as the temperature decreases. This softening is accompanied by a broadening of the peak which gets asymmetrical as well when going towards the transition temperature. These features are in agreement with the experimental inelastic X-ray measurements.Comment: 6 pages, 5 figures. Published versio

Antiferromagnetism in doped anisotropic two-dimensional spin-Peierls systems

We study the formation of antiferromagnetic correlations induced by impurity doping in anisotropic two-dimensional spin-Peierls systems. Using a mean-field approximation to deal with the inter-chain magnetic coupling, the intra-chain correlations are treated exactly by numerical techniques. The magnetic coupling between impurities is computed for both adiabatic and dynamical lattices and is shown to have an alternating sign as a function of the impurity-impurity distance, hence suppressing magnetic frustration. An effective model based on our numerical results supports the coexistence of antiferromagnetism and dimerization in this system.Comment: 5 pages, 4 figures; final version to appear in Phys. Rev.

Coexistence of charge density wave and spin-Peierls orders in quarter-filled quasi-one dimensional correlated electron systems

Charge and spin-Peierls instabilities in quarter-filled (n=1/2) compounds consisting of coupled ladders and/or zig-zag chains are investigated. Hubbard and t-J models including local Holstein and/or Peierls couplings to the lattice are studied by numerical techniques. Next nearest neighbor hopping and magnetic exchange, and short-range Coulomb interactions are also considered. We show that, generically, these systems undergo instabilities towards the formation of Charge Density Waves, Bond Order Waves and (generalized) spin-Peierls modulated structures. Moderate electron-electron and electron-lattice couplings can lead to a coexistence of these three types of orders. In the ladder, a zig-zag pattern is stabilized by the Holstein coupling and the nearest-neighbor Coulomb repulsion. In the case of an isolated chain, bond-centered and site-centered 2k_F and 4k_F modulations are induced by the local Holstein coupling. In addition, we show that, in contrast to the ladders, a small charge ordering in the chains, strongly enhances the spin-Peierls instability. Our results are applied to the NaV_2O_5 compound (trellis lattice) and various phases with coexisting charge disproportionation and spin-Peierls order are proposed and discussed in the context of recent experiments. The role of the long-range Coulomb potential is also outlined.Comment: 10 pages, Revtex, 10 encapsulated figure