Comment on "Anomalous Thermal Conductivity of Frustrated Heisenberg Spin Chains and Ladders"

In a recent letter [Phys. Rev. Lett. 89, 156603 (2002); cond-mat/0201300], Alvarez and Gros have numerically analyzed the Drude weight for thermal transport in spin ladders and frustrated chains of up to 14 sites and have proposed that it remains finite in the thermodynamic limit. In this comment, we argue that this conclusion cannot be sustained if the finite-size analysis is taken to larger system sizes.Comment: One page REVTeX4, 1 figure. Published version (minor changes

Spin dynamics of a tetrahedral cluster magnet

We study the magnetism of a lattice of coupled tetrahedral spin-1/2 clusters which might be of relevance to the tellurate compounds Cu2Te2O5X2, with X=Cl, Br. Using the flow equation method we perform a series expansion in terms of the inter-tetrahedral exchange couplings starting from the quadrumer limit. Results will be given for the magnetic instabilities of the quadrumer phase and the dispersion of elementary triplet excitations. In limiting cases of our model of one- or two dimensional character we show our results to be consistent with findings on previously investigated decoupled tetrahedral chains and the Heisenberg model on the 1/5-depleted square lattice.Comment: 5 pages, 5 figures, 7 eps file

Spin-Dynamics of the antiferromagnetic S=1/2-Chain at finite magnetic Fields and intermediate Temperatures

We present a study of the dynamic structure factor of the antiferromagnetic spin-1/2 Heisenberg chain at finite temperatures and finite magnetic fields. Using Quantum-Monte-Carlo based on the stochastic series expansion and Maximum-Entropy methods we evaluate the longitudinal and the transverse dynamic structure factor from vanishing magnetic fields up to and above the threshold $B_c$ for ferromagnetic saturation, as well as for high and for intermediate temperatures. We study the field-induced redistribution of spectral weight contrasting longitudinal versus transverse excitations. At finite fields below saturation incommensurate low-energy modes are found consistent with zero temperature Bethe-Ansatz. The crossover between the field induced ferromagnet above $B_c$ and the Luttinger liquid below $B_c$ is analyzed in terms of the transverse spin-dynamics. Evaluating sum-rules we assess the quality of the analytic continuation and demonstrate excellent consistency of the Maximum-Entropy results.Comment: 10 pages, 6 figure

Magnetic heat conductivity in CaCu2O3\rm\bf CaCu_2O_3: linear temperature dependence

We present experimental results for the thermal conductivity $\kappa$ of the pseudo 2-leg ladder material $\rm CaCu_2O_3$. The strong buckling of the ladder rungs renders this material a good approximation to a $S=1/2$ Heisenberg-chain. Despite a strong suppression of the thermal conductivity of this material in all crystal directions due to inherent disorder, we find a dominant magnetic contribution $\kappa_\mathrm{mag}$ along the chain direction. $\kappa_\mathrm{mag}$ is \textit{linear} in temperature, resembling the low-temperature limit of the thermal Drude weight $D_\mathrm{th}$ of the $S=1/2$ Heisenberg chain. The comparison of $\kappa_\mathrm{mag}$ and $D_\mathrm{th}$ yields a magnetic mean free path of $l_\mathrm{mag}\approx 22 \pm 5$ \AA, in good agreement with magnetic measurements.Comment: appears in PR

Bond-impurity induced bound states in disordered spin-1/2 ladders

We discuss the effect of weak bond-disorder in two-leg spin ladders on the dispersion relation of the elementary triplet excitations with a particular focus on the appearance of bound states in the spin gap. Both the cases of modified exchange couplings on the rungs and the legs of the ladder are analyzed. Based on a projection on the single-triplet subspace, the single-impurity and small cluster problems are treated analytically in the strong-coupling limit. Numerically, we study the problem of a single impurity in a spin ladder by exact diagonalization to obtain the low-lying excitations. At finite concentrations and to leading order in the inter-rung coupling, we compare the spectra obtained from numerical diagonalization of large systems within the single-triplet subspace with the results of diagrammatic techniques, namely low-concentration and coherent-potential approximations. The contribution of small impurity clusters to the density of states is also discussed.Comment: 9 pages REVTeX4 including 7 figures, final version; Fig. 5 modifie

High-dimensional quantum dynamics of adsorption and desorption of H2_2 at Cu(111)

We performed high-dimensional quantum dynamical calculations of the dissociative adsorption and associative desorption of hydrogen on Cu(111). The potential energy surface (PES) is obtained from density functional theory calculations. Two regimes of dynamics are found, at low energies sticking is determined by the minimum energy barrier, at high energies by the distribution of barrier heights. Experimental results are well-reproduced qualitatively, but some quantitative discrepancies are identified as well.Comment: 4 two column pages, revtex, 4 figures, to appear in Phys. Rev. Let

Thermal conductivity of anisotropic and frustrated spin-1/2 chains

We analyze the thermal conductivity of anisotropic and frustrated spin-1/2 chains using analytical and numerical techniques. This includes mean-field theory based on the Jordan-Wigner transformation, bosonization, and exact diagonalization of systems with N<=18 sites. We present results for the temperature dependence of the zero-frequency weight of the conductivity for several values of the anisotropy \Delta. In the gapless regime, we show that the mean-field theory compares well to known results and that the low-temperature limit is correctly described by bosonization. In the antiferromagnetic and ferromagnetic gapped regime, we analyze the temperature dependence of the thermal conductivity numerically. The convergence of the finite-size data is remarkably good in the ferromagnetic case. Finally, we apply our numerical method and mean-field theory to the frustrated chain where we find a good agreement of these two approaches on finite systems. Our numerical data do not yield evidence for a diverging thermal conductivity in the thermodynamic limit in case of the antiferromagnetic gapped regime of the frustrated chain.Comment: 4 pages REVTeX4 including 6 figures; published version, main modification: added emphasis that the data of our Fig. 3 point to a vanishing of the thermal Drude weight in the thermodynamic limit in this cas