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We study the energy-density dynamics at finite momentum of the two-dimensional Kitaev spin-model on the honeycomb lattice. Due to fractionalization of magnetic moments, the energy relaxation occurs through mobile Majorana matter, coupled to a static $\mathbb{Z}_2$ gauge field. At finite temperatures, the $\mathbb{Z}_2$ flux excitations act as an emergent disorder, which strongly affects the energy dynamics. We show that sufficiently far above the flux proliferation temperature, but not yet in the classical regime, gauge disorder modifies the coherent low-temperature energy-density dynamics into a form which is almost diffusive, with hydrodynamic momentum scaling of a diffusion-kernel, which however remains retarded, primarily due to the presence of two distinct relaxation channels of particle-hole and particle-particle nature. Relations to thermal conductivity are clarified. Our analysis is based on complementary calculations in the low-temperature homogeneous gauge and a mean-field treatment of thermal gauge fluctuations, valid at intermediate and high temperatures., 9 pages, 8 figures. arXiv admin note: text overlap with arXiv:1909.09360

We present a combined experimental and theoretical study of the mineral atacamite ${\mathrm{Cu}}_{2}\mathrm{Cl}(\mathrm{OH}{)}_{3}$. Density-functional theory yields a Hamiltonian describing anisotropic sawtooth chains with weak 3D connections. Experimentally, we fully characterize the antiferromagnetically ordered state. Magnetic order shows a complex evolution with the magnetic field, while, starting at 31.5 T, we observe a plateaulike magnetization at about ${M}_{\mathrm{sat}}/2$. Based on complementary theoretical approaches, we show that the latter is unrelated to the known magnetization plateau of a sawtooth chain. Instead, we provide evidence that the magnetization process in atacamite is a field-driven canting of a 3D network of weakly coupled sawtooth chains that form giant moments.

We study the Kitaev spin-$1/2$ ladder, a model which exhibits self-localization due to fractionalization caused by exchange frustration. When a weak magnetic field is applied, the model is described by an effective fermionic Hamiltonian, with an additional time reversal symmetry breaking term. We show that this term alone is not capable of delocalizing the system but flux mobility is a prerequisite. For magnetic fields larger but comparable to the flux gap, fluxes become mobile and drive the system into a delocalized regime, featuring finite dc transport coefficients. Our findings are based on numerical techniques, exact diagonalization and dynamical quantum typicality, from which, we present results for the specific heat, the dynamical energy current correlation function, as well as the inverse participation ratio, contrasting the spin against the fermion representation. Implications of our results for two-dimensional extensions of the model will be speculated on., 7 pages, 4 figures

We study the spectrum of a bilayer of Kitaev magnets on the honeycomb lattice, coupled by Heisenberg exchange in the quantum-dimer phase at strong interlayer coupling. Using the perturbative Continuous Unitary transformation (pCUT) we perform series expansion starting from the fully dimerized limit, to evaluate the elementary excitations, reaching up to and focusing on the two-triplon sector. In stark contrast to conventional bilayer quantum magnets, and because of the broken $SU(2)$-invariance, encoded in the intralayer directional compass-exchange, the bilayer Kitaev magnet is shown to exhibit a rich structure of two-triplon scattering-state continua, as well as several collective two-triplon (anti)bound states. Direct physical pictures for the occurrence of the latter are provided and the (anti)bound states are studied versus the stacking type, the spin components, and the exchange parameters. In addition to the two-triplon spectra, we investigate a corresponding experimental probe by evaluating the magnetic Raman-scattering intensity. We find a very strong sensitivity of this intensity on the two-triplon interactions and the scattering geometry, however a signal from the (anti)bound states appears only in very close proximity to the continuum., 13 pages, 11 figures

We study the impact of trimerization (breathing) of the nearest-neighbor (NN) exchange on the planar XY spin-1/2 ferromagnet on the kagome lattice, including additional four-site ring exchange. For uniform NN exchange, this model has previously been shown to transit from a long-range ordered ferromagnet into a Z2 quantum spin liquid by virtue of the ring exchange. Using quantum Monte-Carlo calculations, based on the stochastic series expansion, we present results for the spin stiffness, the quantum phase diagram, the longitudinal static, as well as the transverse dynamic structure factor. Our results corroborate 3D XY universality also at finite trimerization and suggest a simple continuation of the quantum critical point of the uniform case into a line in terms of rescaled exchange parameters. Moreover, at any trimerization and in the ordered phase the elementary excitations can be understood very well in terms of linear spin wave theory, while beyond the critical line, in the spin liquid phase we find signatures of spinon continua., 9 pages, 8 figures

We study the self-energy of phonons, magnetoelastically coupled to the two-dimensional Kitaev spin-model on the honeycomb lattice. Fractionalization of magnetic moments into mobile Majorana matter and a static $\mathbb{Z}_{2}$ gauge field lead to a continuum of relaxation processes comprising two channels. Thermal flux excitations, which act as an emergent disorder, strongly affect the phonon renormalization. Above the flux proliferation temperature, the dispersion of a narrow quasiparticle-hole channel is suppressed in favor of broad and only weakly momentum dependent features, covering large spectral ranges. Our analysis is based on complementary calculations in the low-temperature homogeneous gauge and a mean-field treatment of thermal gauge fluctuations, valid at intermediate and high temperatures., 7 pages, 4 figures

The honeycomb Kitaev model in a magnetic field is a source of a topological quantum spin liquid with Majorana fermions and gauge flux excitations as fractional quasiparticles. We present experimental results for the thermal Hall effect of the material $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$, which recently emerged as a prime candidate for realizing such physics. At temperatures above long-range magnetic ordering $T\ensuremath{\gtrsim}{T}_{N}\ensuremath{\approx}8\phantom{\rule{0.16em}{0ex}}\mathrm{K}$, we observe with an applied magnetic field $B$ perpendicular to the honeycomb layers a sizable positive transversal heat conductivity ${\ensuremath{\kappa}}_{xy}$ which increases linearly with $B$. Upon raising the temperature, ${\ensuremath{\kappa}}_{xy}(T)$ increases strongly, exhibits a broad maximum at around 30 K, and eventually becomes negligible at $T\ensuremath{\gtrsim}125\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. Remarkably, the longitudinal heat conductivity ${\ensuremath{\kappa}}_{xx}(T)$ exhibits a sizable positive thermal magnetoresistance effect. Thus, our findings suggest significant longitudinal and transverse magnetic heat transport, underpinning the unconventional nature of the quasiparticles in the paramagnetic phase of $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$.

We study spin transport in the one-dimensional anisotropic S = 1 Heisenberg model. Particular emphasis is given to dynamics at infinite temperature, where current autocorrelations and spatio-temporal correlation functions are obtained by means of an efficient pure-state approach based on the concept of typicality. Our comprehensive numerical analysis unveils that high-temperature spin transport is diffusive in the easy-axis regime for strong exchange anisotropies. This finding is based on the combination of numerous signatures, such as (i) Gaussian spreading of correlations, (ii) a time-independent diffusion coefficient, (iii) power-law decay of equal-site correlations, (iv) exponentially decaying long-wavelength modes, and (v) Lorentzian line shapes of the dynamical structure factor. Moreover, we provide evidence that some of these signatures are not exclusively restricted to the infinite-temperature limit, but can persist at lower temperatures as well, where we complement our results by additional quantum Monte Carlo simulations of large systems. In contrast to the easy-axis regime, we show that in the case of an isotropic chain, the signatures (i) - (v) are much less pronounced or even entirely absent, suggesting the existence of anomalous spin transport despite the nonintegrability of the model. Eventually, upon introducing a random on-site magnetic field, we observe a breakdown of diffusion and distinctly slower dynamics. In particular, our results exhibit qualitative similarities to disordered spin-1/2 chains and might be consistent with the onset of many-body localization in the S = 1 model for sufficiently strong disorder., Comment: 14 pages, 15 figures

We present a study of longitudinal thermal transport in the Kitaev spin model on the honeycomb lattice, focusing on the role of anisotropic exchange to cover both, gapless and gapped phases. Employing a complementary combination of exact diagonalization on small systems and an average gauge configuration approach for up to $\sim O(10^4)$ spinful sites, we report results for the dynamical energy current auto-correlation function as well as the dc thermal conductivity over a wide range of temperatures and exchange anisotropies. Despite a pseudogap in the current correlation spectra, induced by emergent thermal gauge disorder on any finite system, we find that in the thermodynamic limit, gapless and gapful phases both feature normal dissipative transport, with a temperature dependence crossing over from power law to exponentially activated behavior upon gap opening., 6 pages, 5 figures

The spin$-1/2$ Heisenberg antiferromagnet on the honeycomb bilayer lattice is shown to display a rich variety of semiclassical and genuinely quantum phases, controlled by the interplay between intralayer frustration and interlayer exchange. Employing a complementary set of techniques, comprising spin rotationally invariant Schwinger boson mean field theory, bond operators, and series expansions we unveil the quantum phase diagram, analyzing low-energy excitations and order parameters. By virtue of Schwinger bosons we scan the complete range of exchange parameters, covering both long range ordered as well as quantum disordered ground states and reveal the existence of an extended, frustration induced lattice nematic phase in a range of intermediate exchange unexplored so far., 6 pages, 3 figures

Kitaev's honeycomb-lattice spin-$1/2$ model has become a paradigmatic example for $\mathbb{Z}_2$ quantum spin liquids, both gapped and gapless. Here we study the fate of these spin-liquid phases in differently stacked bilayer versions of the Kitaev model. Increasing the ratio between the inter-layer Heisenberg coupling $J_\perp$ and the intra-layer Kitaev couplings $K^{x,y,z}$ destroys the topological spin liquid in favor of a paramagnetic dimer phase. We study phase diagrams as a function of $J_\perp/K$ and Kitaev coupling anisotropies using Majorana-fermion mean-field theory, and we employ different expansion techniques in the limits of small and large $J_\perp/K$. For strongly anisotropic Kitaev couplings, we derive effective models for the different layer stackings which we use to discuss the quantum phase transition out of the Kitaev phase. We find that the phase diagrams depend sensitively on the nature of the stacking and anisotropy strength. While in some stackings and at strong anisotropies we find a single transition between the Kitaev and dimer phases, other stackings are more involved: Most importantly, we prove the existence of two novel macro-spin phases which can be understood in terms of Ising chains which can be either coupled ferromagnetically or remain degenerate, thus realizing a classical spin liquid. In addition, our results suggest the existence of a flux phase with spontaneous inter-layer coherence., 23 pages, 18 figures; expanded summary of results and minor improvements

We study the dynamical thermal conductivity of the two-dimensional Kitaev spin-model on the honeycomb lattice. We find a strongly temperature dependent low-frequency spectral intensity as a direct consequence of fractionalization of spins into mobile Majorana matter and a static $\mathbb{Z}_{2}$ gauge field. The latter acts as an emergent thermally activated disorder, leading to the appearance of a pseudogap which partially closes in the thermodynamic limit, indicating a dissipative heat conductor. Our analysis is based on complementary calculations of the current correlation function, comprising exact diagonalization by means of a complete summation over all gauge sectors, as well as a phenomenological mean-field treatment of thermal gauge fluctuations, valid at intermediate and high temperatures. The results will also be contrasted against the conductivity discarding gauge fluctuations.

We study the dynamical thermal conductivity of the Kitaev spin model on a two-leg ladder. In contrast to conventional integrable one-dimensional spin systems, we show that heat transport is completely dissipative. This is a direct consequence of fractionalization of spins into mobile Majorana matter and a static $Z_{2}$ gauge field, which acts as an emergent thermally activated disorder. Our finding rests on three complementary calculations of the current correlation function, comprising a phenomenological mean-field treatment of thermal gauge fluctuations, a complete summation over all gauge sectors, as well as exact diagonalization of the original spin model. The results will also be contrasted against the conductivity discarding gauge fluctuations., 6 pages, 4 figures

We study the frequency dependence of the optical conductivity $\text{Re} \, \sigma(\omega)$ of the Heisenberg spin-$1/2$ chain in the thermal and near the transition to the many-body localized phase induced by the strength of a random $z$-directed magnetic field. Using the method of dynamical quantum typicality, we calculate the real-time dynamics of the spin-current autocorrelation function and obtain the Fourier transform $\text{Re} \, \sigma(\omega)$ for system sizes much larger than accessible to standard exact-diagonalization approaches. We find that the low-frequency behavior of $\text{Re} \, \sigma(\omega)$ is well described by $\text{Re} \, \sigma(\omega) \approx \sigma_\text{dc} + a \, |\omega|^\alpha$, with $\alpha \approx 1$ in a wide range within the thermal phase and close to the transition. We particularly detail the decrease of $\sigma_\text{dc}$ in the thermal phase as a function of increasing disorder for strong exchange anisotropies. We further find that the temperature dependence of $\sigma_\text{dc}$ is consistent with the existence of a mobility edge., Comment: 5 pages, 5 figures (+ 3 pages, 5 figures)

We study the spin-1/2 Heisenberg antiferromagnet on a bilayer honeycomb lattice including interlayer frustration. Using a set of complementary approaches, namely Schwinger bosons, dimer series expansion, bond operators, and exact diagonalization, we map out the quantum phase diagram. Analyzing ground state energies and elementary excitation spectra, we find four distinct phases, corresponding to three collinear magnetic long range ordered states, and one quantum disordered interlayer dimer phase. We detail, that the latter phase is adiabatically connected to an "exact" singlet product ground state of the the bilayer which exists along a line of maximum interlayer frustration. The order within the remaining three phases will be clarified., 12 pages, 12 figures

We study the Heisenberg-Kitaev chain in order to uncover the interplay between two qualitatively different integrable points in the physics of heat transport in one dimension. Focusing on high temperatures and using analytical as well as numerical approaches within linear response theory, we explore several directions in parameter space including exchange-coupling ratios, anisotropies, and external magnetic fields. We show the emergence of purely ballistic energy transport at all integrable points, manifest in pronounced Drude weights and low-frequency suppression of regular-conductivity contributions. Moreover, off integrability, we find extended quantum chaotic regions with vanishing Drude weights and well-defined DC conductivities. In the vicinity of the Kitaev point, we observe clear signatures of the topological gap in the response function. This gap coexists with a nonzero Drude weight in the Kitaev chain., 7 pages, 8 figures, accepted for publication in Phys. Rev. B

Using a generalized random phase approach quantum fluctuations beyond the helical mean-field states of the Hubbard model off half filling are discussed. The collective mode spectrum is shown to exhibit spin-charge mixing and is found to be strongly renormalized by coupling to low-energy incoherent particle-hole excitations. Results for the collective mode dispersion which displays a significant anisotropy are presented for selected helical phases. Moreover phase space regions of ‘missing’ modes are identified with a finite wave length instability of the helical states suggesting novel inhomogeneous phases of the doped Hubbard model. P.A.C.S. : 71.27.+a, 75.30.Fv, 75.40.Gb

The S=1/2 antiferromagnetic Heisenberg chain exhibits a magnetic field driven quantum critical point. We study the low frequency spin dynamics in copper pyrazine dinitrate (CuPzN), a realization of this model system of quantum magnetism, by means of $^{13}$C-NMR spectroscopy. Measurements of the nuclear spin-lattice relaxation rate $T_1^{-1}$ in the vicinity of the saturation field are compared with quantum Monte Carlo calculations of the dynamic structure factor. Both show a strong divergence of low energy excitations at temperatures in the quantum regime. The analysis of the anisotropic $T_1^{-1}$-rates and frequency shifts allows one to disentangle the contributions from transverse and longitudinal spin fluctuations for a selective study and to determine the transfer of delocalized spin moments from copper to the neighboring nitrogen atoms.

Motivated by the recent heat transport experiments in 2D antiferromagnets, such as La$_2$CuO$_4$, where the exchange coupling $J$ is larger than the Debye energy $\Theta_{\rm D}$, we discuss different types of relaxation processes for magnon heat current with a particular focus on coupling to 3D phonons. We study thermal conductivity by these in-plane magnetic excitations using two distinct techniques, Boltzmann formalism within the relaxation-time approximation and memory-function approach. Within these approaches, a close consideration is given to the scattering of magnons by both acoustic and optical branches of phonons. A remarkable accord between the two methods with regards to the asymptotic behavior of the effective relaxation rates is demonstrated. Additional scattering mechanisms, due to grain boundaries, impurities, and finite correlation length in the paramagnetic phase, are discussed and included in the calculations of the thermal conductivity $\kappa(T)$. Again, we demonstrate a close similarity of the results from the two techniques of calculating $\kappa(T)$. Our complementary approach strongly suggests that scattering from optical or zone-boundary phonons is important for magnon heat current relaxation in a high temperature window of $\Theta_D\lesssim T \ll J$., Comment: 21+ pages, 16 figures

We investigate the heat conductivity $\kappa$ of the Heisenberg spin-1/2 ladder at finite temperature covering the entire range of inter-chain coupling $J_\perp$, by using several numerical methods and perturbation theory within the framework of linear response. We unveil that a perturbative prediction $\kappa \propto J_\perp^{-2}$, based on simple golden-rule arguments and valid in the strict limit $J_\perp \to 0$, applies to a remarkably wide range of $J_\perp$, qualitatively and quantitatively. In the large $J_\perp$-limit, we show power-law scaling of opposite nature, namely, $\kappa \propto J_\perp^2$. Moreover, we demonstrate the weak and strong coupling regimes to be connected by a broad minimum, slightly below the isotropic point at $J_\perp = J_\parallel$. As a function of temperature $T$, this minimum scales as $\kappa \propto T^{-2}$ down to $T$ on the order of the exchange coupling constant. These results provide for a comprehensive picture of $\kappa(J_\perp,T)$ of spin ladders., Comment: 5 pages, 5 figures (+ 5 pages, 8 figures), accepted for publication in Physical Review Letters

Cu Pyrimidine Cu(C4N2H4)(NO3)2(H2O)2 and Cu Benzoate Cu(C6H5COO)2?3H2O are molecule-based S = 1/2 antiferromagnetic Heisenberg chain systems. Because of a staggering of the g tensor and the Dzyaloshinskii-Moriya interaction, the magnetic prinicpal axis system a''bc'' is distinct from the crystallographic unit cell. Along a'' a behavior corresponding to the uniform S = 1/2 antiferromagnetic Heisenberg chain occurs, while along c'' the effect of staggering of the g tensor and Dzyaloshinskii?Moriya interaction are most prominent. Here, we discuss the field and temperature dependent magnetization along a'' and c'' of these systems, in particular with respect to the relevance of the inhomogeneity parameter k controlling the ratio between longitudinal and transverse magnetization components.

We present results of a study of the antiferromagnetic spin-1 chain, subject to the simultaneous presence of single-ion anisotropy and external magnetic fields. Using a quantum Monte Carlo calculation based on the stochastic series expansion method, we first uncover a rich quantum phase diagram comprising N\'eel, Haldane, Luttinger-liquid, and large-anisotropy phases. Second, we scan across this phase diagram over a wide range of parameters, evaluating the transverse dynamic structure factor, which we show to exhibit sharp massive modes as well as multiparticle continua. For vanishing anisotropy and fields, comparison with existing results from other analytic and numerical approaches shows convincing consistency.

We present an analytic theory for the energy spectrum of a two-leg spin ladder doped with two holes. Starting from a pseudo-fermion-bond-boson representation of the corresponding t 1,2 −J 1,2 Hamiltonian we apply a diagrammtic approach adapted to the limit of strong rung coupling, which includes both, the coupling of holes to the spin background as well as the two-hole interactions. The two-hole spectrum is calculated and the formation of bound states is discussed. Additionally the evolution of the spin gap of the ladder upon doping is analyzed. A comparison with existing exact diagonalization data is presented and good agreement is found.

We use the concept of typicality to study the real-time dynamics of spin and energy currents in spin-1/2 models in one dimension and at nonzero temperatures. These chains are the integrable XXZ chain and a nonintegrable modification due to the presence of a staggered magnetic field oriented in z direction. In the framework of linear response theory, we numerically calculate autocorrelation functions by propagating a single pure state, drawn at random as a typical representative of the full statistical ensemble. By comparing to small-system data from exact diagonalization (ED) and existing short-time data from time-dependent density matrix renormalization group (tDMRG), we show that typicality is satisfied in finite systems over a wide range of temperature and is fulfilled in both, integrable and nonintegrable systems. For the integrable case, we calculate the long-time dynamics of the spin current and extract the spin Drude weight for large systems outside the range of ED. We particularly provide strong evidence that the high-temperature Drude weight vanishes at the isotropic point. For the nonintegrable case, we obtain the full relaxation curve of the energy current and determine the heat conductivity as a function of magnetic field, exchange anisotropy, and temperature., Comment: 14 pages, 14 figures, accepted for publication in Phys. Rev. B

We present a unified account of magnetic exchange and Raman scattering in the quasi-one-dimensional transition-metal oxide NaV$_2$O$_5$. Based on a cluster-model approach explicit expressions for the exchange integral and the Raman-operator are given. It is demonstrated that a combination of the electronic-structure and the Dzyaloshinskii-Moriya interaction, allowed by symmetry in this material, are responsible for the finite Raman cross-section giving rise to both, one- and two-magnon scattering amplitudes.

We clarify the role of crystalline electric field (CEF) induced magnetic anisotropy in the ground state and spin-wave spectrum of cubic rare-earth materials with dominating isotropic magnetic exchange interactions. In particular we study the hexaboride NdB_6 which is shown to exhibit strong spin-quadrupolar coupling. The CEF scheme is analyzed and a non-collinear magnetization response is found. The spin orientation in the antiferromagnetically ordered ground-state is identified. Moreover, the spin excitations are evaluated and in agreement with inelastic neutron scattering a suppression of one of the two magnetic modes in the strong-coupling regime is predicted., 4 pages, 1 eps-figure

We study the magnetism of a two-dimensional model of coupled spin dimers in the presence of disorder. Using a quantum Monte-Carlo approach, we evaluate the staggered structure factor as a function of the exchange coupling strength and for various disorder concentrations. We show that substitutional disorder in terms of non-magnetic defects leads to long-range magnetic order at zero temperature.

A study is presented of a two-dimensional frustrated and dimerized quantum spin-system which models the effect of inter-chain coupling in a spin-Peierls compound. Employing a bond-boson method to account for quantum disorder in the ground state the elementary excitations are evaluated in terms of gapful triplet modes. Results for the ground state energy and the spin gap are discussed. The triplet dispersion is found to be in excellent agreement with inelastic neutron scattering data in the dimerized phase of the spin-Peierls compound CuGeO_3. Moreover, consistent with these neutron scattering experiments, the low-temperature dynamic structure factor exhibits a high-energy continuum split off from the elementary triplet mode., 8 pages, Revtex, 8 eps-figures

The static, homogeneous, diagonal conductivityfor the normal quantum Hall effect at half filling of the lowest Landau level under certain conditions seems to approach the value e2/2h. The deviations from this value in dynamical, inhomogeneous situations show anomalies with a nonanalytical behavior of σ(ω, k) in ω and k. Existing results concerning this behavior are briefly reviewed and improved, taking screening effects into account. The combination of low-frequency anomalies and screening effects turns out to have dramatic consequences suppressing the low-frequency conductivity very strongly. From our considerations we conclude that it should be possible to observe all these effects.

Using a combination of high-temperature series expansion, exact diagonalization and Quantum-Monte-Carlo, we perform a complementary analysis of the thermodynamic properties of one-dimensional mixed-spin systems with alternating magnetic moments. In particular, we focus on the difference between ferromagnetic (FM) and antiferromagnetic (AFM) exchange. For the specific heat we find a multi-peak structure in the FM case which is strongly enhanced as compared to that known for the AFM case. We also report the behavior of the susceptibility in the corresponding temperature range.

We analyze the thermal conductivity of frustrated spin- 1 2 chains within linear-response theory focusing on its frequency dependence at finite temperatures. Using exact diagonalization, the low-frequency limit of the thermal conductivity is discussed in the high-temperature regime.

We demonstrate that point-like defects in non-collinear magnets give rise to a highly dispersive structure in the magnon scattering, violating a standard paradigm of its momentum independence. For a single impurity spin coupled to a prototypical non-collinear antiferromagnet we find that the resolvent is dominated by a distinct dispersive structure with its momentum-dependence set by the magnon dispersion and shifted by the ordering vector. This feature is a consequence of umklapp scattering off the impurity-induced spin texture, which arises due to the non-collinear ground state of the host system. Detailed results for the staggered and uniform magnetization of this texture as well as the T-matrix from numerical linear spin-wave theory are presented., 5+5 pages, 4+5 figs

We demonstrate that the concept of quantum typicality allows for significant progress in the study of real-time spin dynamics and transport in quantum magnets. To this end, we present a numerical analysis of the spin-current autocorrelation function of the antiferromagnetic and anisotropic spin-1/2 Heisenberg chain as inferred from propagating only a single pure state, randomly chosen as a "typical" representative of the statistical ensemble. Comparing with existing time-dependent density-matrix renormalization group (tDMRG) data, we show that typicality is fulfilled extremely well, consistent with an error of our approach, which is perfectly under control and vanishes in the thermodynamic limit. In the long-time limit, our results provide for a new benchmark for the enigmatic spin Drude weight, which we obtain from chains as long as L=33 sites, i.e., from Hilbert spaces of dimensions almost O(10^4) larger than in existing exact-diagonalization studies., Comment: 5 pages, 4 figures, accepted for publication in Physical Review Letters

We study the spin-phonon drag effect in the magnetothermal transport of spin-1/2 two-leg ladders coupled to lattice degrees of freedom. Using a bond operator description for the triplon excitations of the spin ladder and magnetoelastic coupling to acoustic phonons, we employ the time convolutionless projection operator method to derive expressions for the diagonal and off-diagonal thermal conductivities of the coupled two-component triplon-phonon system. We find that for magnetoelastic coupling strengths and diagonal scattering rates relevant to copper-oxide spin-ladders the drag heat conductivity can be of similar magnitude as the diagonal triplon heat conductivity. Moreover, we show that the drag and diagonal conductivities display very similar overall temperature dependences. Finally, the drag conductivity is shown to be rather susceptible to external magnetic fields., Comment: 9 pages, 4 figures, submitted to Phys. Rev. B

Hydrogen adsorption on the Si(100)2 × 1 transforms the buckled Si dimers of the reconstructed surface into symmetric monohydride units. The dynamics of adsorption is therefore coupled to lattice dynamics. Based on the results of ab initio calculations, we study the dynamics of both adsorption and desorption for the coupled molecule + surface system in a coupled channel approach. We find that the desorption barrier is not only reflected in the energy of the desorbing molecules, but also transferred to lattice excitations. In adsorption thermal excitations of the surface help to overcome the barrier and thus increase the sticking coefficient at elevated surface temperatures. As has been pointed out earlier, a dynamical mechanism with such features could help to understand discrepancies between experimental results for the H 2 Si (100) system that are hard to reconcile otherwise.

We consider the screening properties of quasi-one-dimensional electronic states which may occur on low index surfaces (flat or stepped) of some fcc metals as localized chain states. Motivated by the analysis of experimental data on the H/Ni(110) system, we discuss the possible contributions to indirect interactions between two H adatoms which are mediated by such states. We first show in the linear model of screening that these interactions should exhibit long range oscillations which scale as d −1 for large distances d between the adatoms. We use experimental data for the indirect interactions in H/Ni(110) systems to obtain an order of magnitude estimate of parameters involved. It turns out that a relatively large phase shift η a is required for such oscillations. We therefore also use a nonlinear model for the screening of adatoms, based on the Anderson Hamiltonian. This model yields an indirect interaction between two adatoms which is regular for all d and behaves asymptotically as ∼cos[2k F /d − 2η a (e F )]d where k F is the Fermi wavevector at the metal surface. The physical significance of the parameters of the model derived thereof is discussed in the context of incomplete screening of H adatoms by quasi-one-dimensional electronic chain states existing on the substrate surface.

In two earlier papers a numerically stable solution of the stationary Schrodinger equation for coupled channels was presented. The Schrodinger function and its first derivative were expressed in terms of two matrices: A so-calledlocal reflection matrix (LORE) and aninverse local transmission matrix (INTRA). These matrices obey very simple boundary conditions: They approach asymptotically zero (one) on one side of the reaction path and the reflection (transmission) matrix on the other side. Hence by propagating both matrices along the reaction path one can determine directly the observable scattering matrix elements without ever having to calculate wave functions. On the other hand it is often useful to know the wave functions, for instance in order to interpret scattering data in terms of ‘flow patterns’ etc. Although the relation between theINTRA-LORE and the wave function is simple, a straight forward calculation is not possible. It would involve an inversion of theINTRA which is numerically ill behaved. In this paper we describe a numerically stable method of computing the wave function and illustrate by two examples of surface reactions.

We discuss the ground state properties and the collective dynamics of spiral magnetic states in the two dimensional Hubbard model. In particular we present the phase diagram in the presence of a finite next-nearest-neighbor hopping integral t′. In contrast to the plain t Hubbard-model we find a region of stable antiferromagnetism in an extended interval of electron (hole) doping off half filling for a negative (positive) ratio of t′/t. In addition we investigate the coupled charge and spiral spin-excitations off half filling. The resulting collective modes are found to be highly anisotropic and strongly Landau damped.

We review concepts and effects of electron correlations in the copper-oxide superconductors. The purpose of this article is twofold. First, we provide an overview of results of various electron spectroscopies, Raman scattering and optical conductivity studies with a particular emphasis on experiments which identify the charge and spin correlations relevant to the cuprates. Second, we focus on microscopic theories of the single-particle excitations, and the charge and spin dynamics in the normal state of cuprates considering those models which incorporate strong electron correlations. The single-particle spectrum of the three-band Hubbard model is reviewed and related to results of electron spectroscopy. The carrier dynamics in the t-J model and the one-band Hubbard model at low doping is discussed in detail. We examine approaches which describe the single-particle excitations of correlated electron systems at finite doping. Theories of the static and dynamic magnetic correlations are considered and we speculate on the consequences of the spin dynamics for Raman scattering and the optical conductivity. Finally, selected phenomenological ideas are reviewed.

We study a one parameter variational wave function to improve the spin density wave ground state of the Hubbard model by inclusion of quantum spin fluctuations. Using a perturbative approach and novel lattice summation techniques we present analytical as well as numerical results for the correlation energies and the staggered magnetizations in one and two dimensions. We find ground state energies which are satisfyingly close to known exact results and are significantly lower than those of existing Gutzwiller and numerical treatments.

We study the ground state phase diagram of a frustrated spin-1/2 four-leg tube. Using a variety of complementary techniques, namely density matrix renormalization group, exact diagonalization, Schwinger boson mean field theory, quantum Monte-Carlo and series expansion, we explore the parameter space of this model in the regime of all-antiferromagnetic exchange. In contrast to unfrustrated four-leg tubes we uncover a rich phase diagram. Apart from the Luttinger liquid fixed point in the limit of decoupled legs, this comprises several gapped ground states, namely a plaquette, an incommensurate, and an antiferromagnetic quasi spin-2 chain phase. The transitions between these phases are analyzed in terms of total energy and static structure factor calculations and are found to be of (weak) first order. Despite the absence of long range order in the quantum case, remarkable similarities to the classical phase diagram are uncovered, with the exception of the icommensurate regime, which is strongly renormalized by quantum fluctuations. In the limit of large leg exchange the tube exhibits a deconfinement cross-over from gapped magnon like excitations to spinons., Facultad de Ciencias Exactas

The second order linear Schrodinger equation is transformed to a first order nonlinear differential equation for a quantityp=(iq−1ψ′−ψ)/(iq−1ψ′+ψ). In a coupled channel problem all quantities occurring in this equation includingq (the WKB wave number) are matrices andp may be calledlocal reflection matrix. This quantity is closely related to the logarithmic derivative of the Schrodinger function but has no singularities in the classically allowed region. In the asymptotic region where the potential is constant the local reflection matrix approaches the physical reflection matrix. In a pure reflection problem (with an infinite potential on one side) this is the fullS-matrix, in a transmission problem (with an activation barrier of finite height) unitarity of theS-matrix can be used to determine most quantities of physical interest fromp. While standard logarithmic derivative methods can become instable for transmission problems the solution with the local reflection matrix is completely stable both for reflection and transmission problem.

Recent experimental results on the desorption of D2 from Si show practically no translational heating indicating a low barrier for adsorption. This seems to be at variance with the extremely low sticking coefficient found in adsorption experiments indicating a very high barrier. In order to understand this apparent discrepancy we consider a simple model of local lattice relaxation allowing for different barriers in adsorption and desorption processes. After taking the dynamics of this relaxation into account it turns out that detailed balance “in principle” is valid. “In practice”, however, it can not be applied for very large energy releases from lattice distortions. Our model predicts very strong phonon assisted sticking.