The magnetization process of the spin-one triangular-lattice Heisenberg antiferromagnet

We apply the coupled cluster method and exact diagonalzation to study the uniform susceptibility and the ground-state magnetization curve of the triangular-lattice spin-1 Heisenberg antiferromagnet. Comparing our theoretical data for the magnetization curve with recent measurements on the s=1 triangular lattice antiferromagnet Ba3NiSb2O9 we find a very good agreement.Comment: 2 pages, 3 figure

Magneto-Transport in the Two-Dimensional Lorentz Gas

We consider the two-dimensional Lorentz gas with Poisson distributed hard disk scatterers and a constant magnetic field perpendicular to the plane of motion. The velocity autocorrelation is computed numerically over the full range of densities and magnetic fields with particular attention to the percolation threshold between hopping transport and pure edge currents. The Ohmic and Hall conductance are compared with mode-coupling theory and a recent generalized kinetic equation valid for low densities and small fields. We argue that the long time tail as $t^{-2}$ persists for non-zero magnetic field.Comment: 7 pages, 14 figures. Uses RevTeX and epsfig.sty. Submitted to Physical Review

Frustrated spin-12\frac{1}{2} Heisenberg magnet on a square-lattice bilayer: High-order study of the quantum critical behavior of the J1J_{1}--J2J_{2}--J1⊥J_{1}^{\perp} model

The zero-temperature phase diagram of the spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ model on an $AA$-stacked square-lattice bilayer is studied using the coupled cluster method implemented to very high orders. Both nearest-neighbor (NN) and frustrating next-nearest-neighbor Heisenberg exchange interactions, of strengths $J_{1}>0$ and $J_{2} \equiv \kappa J_{1}>0$, respectively, are included in each layer. The two layers are coupled via a NN interlayer Heisenberg exchange interaction with a strength $J_{1}^{\perp} \equiv \delta J_{1}$. The magnetic order parameter $M$ (viz., the sublattice magnetization) is calculated directly in the thermodynamic (infinite-lattice) limit for the two cases when both layers have antiferromagnetic ordering of either the N\'{e}el or the striped kind, and with the layers coupled so that NN spins between them are either parallel (when $\delta 0$) to one another. Calculations are performed at $n$th order in a well-defined sequence of approximations, which exactly preserve both the Goldstone linked cluster theorem and the Hellmann-Feynman theorem, with $n \leq 10$. The sole approximation made is to extrapolate such sequences of $n$th-order results for $M$ to the exact limit, $n \to \infty$. By thus locating the points where $M$ vanishes, we calculate the full phase boundaries of the two collinear AFM phases in the $\kappa$--$\delta$ half-plane with $\kappa > 0$. In particular, we provide the accurate estimate, ($\kappa \approx 0.547,\delta \approx -0.45$), for the position of the quantum triple point (QTP) in the region $\delta < 0$. We also show that there is no counterpart of such a QTP in the region $\delta > 0$, where the two quasiclassical phase boundaries show instead an ``avoided crossing'' behavior, such that the entire region that contains the nonclassical paramagnetic phases is singly connected

Structural Relaxation and Mode Coupling in a Simple Liquid: Depolarized Light Scattering in Benzene

We have measured depolarized light scattering in liquid benzene over the whole accessible temperature range and over four decades in frequency. Between 40 and 180 GHz we find a susceptibility peak due to structural relaxation. This peak shows stretching and time-temperature scaling as known from $\alpha$ relaxation in glass-forming materials. A simple mode-coupling model provides consistent fits of the entire data set. We conclude that structural relaxation in simple liquids and $\alpha$ relaxation in glass-forming materials are physically the same. A deeper understanding of simple liquids is reached by applying concepts that were originally developed in the context of glass-transition research.Comment: submitted to New J. Phy

On the "generalized Generalized Langevin Equation"

In molecular dynamics simulations and single molecule experiments, observables are usually measured along dynamic trajectories and then averaged over an ensemble ("bundle") of trajectories. Under stationary conditions, the time-evolution of such averages is described by the generalized Langevin equation. In contrast, if the dynamics is not stationary, it is not a priori clear which form the equation of motion for an averaged observable has. We employ the formalism of time-dependent projection operator techniques to derive the equation of motion for a non-equilibrium trajectory-averaged observable as well as for its non-stationary auto-correlation function. The equation is similar in structure to the generalized Langevin equation, but exhibits a time-dependent memory kernel as well as a fluctuating force that implicitly depends on the initial conditions of the process. We also derive a relation between this memory kernel and the autocorrelation function of the fluctuating force that has a structure similar to a fluctuation-dissipation relation. In addition, we show how the choice of the projection operator allows to relate the Taylor expansion of the memory kernel to data that is accessible in MD simulations and experiments, thus allowing to construct the equation of motion. As a numerical example, the procedure is applied to Brownian motion initialized in non-equilibrium conditions, and is shown to be consistent with direct measurements from simulations

Structural relaxation in a system of dumbbell molecules

The interaction-site-density-fluctuation correlators, the dipole-relaxation functions, and the mean-squared displacements of a system of symmetric dumbbells of fused hard spheres are calculated for two representative elongations of the molecules within the mode-coupling theory for the evolution of glassy dynamics. For large elongations, universal relaxation laws for states near the glass transition are valid for parameters and time intervals similar to the ones found for the hard-sphere system. Rotation-translation coupling leads to an enlarged crossover interval for the mean-squared displacement of the constituent atoms between the end of the von Schweidler regime and the beginning of the diffusion process. For small elongations, the superposition principle for the reorientational $\alpha$-process is violated for parameters and time intervals of interest for data analysis, and there is a strong breaking of the coupling of the $\alpha$-relaxation scale for the diffusion process with that for representative density fluctuations and for dipole reorientations.Comment: 15 pages, 14 figures, Phys. Rev. E in pres

The Heisenberg antiferromagnet on the kagome lattice with arbitrary spin: A high-order coupled cluster treatment

Starting with the sqrt{3} x sqrt{3} and the q=0 states as reference states we use the coupled cluster method to high orders of approximation to investigate the ground state of the Heisenberg antiferromagnet on the kagome lattice for spin quantum numbers s=1/2,1,3/2,2,5/2, and 3. Our data for the ground-state energy for s=1/2 are in good agreement with recent large-scale density-matrix renormalization group and exact diagonalization data. We find that the ground-state selection depends on the spin quantum number s. While for the extreme quantum case, s=1/2, the q=0 state is energetically favored by quantum fluctuations, for any s>1/2 the sqrt{3} x sqrt{3} state is selected. For both the sqrt{3} x sqrt{3} and the q=0 states the magnetic order is strongly suppressed by quantum fluctuations. Within our coupled cluster method we get vanishing values for the order parameter (sublattice magnetization) M for s=1/2 and s=1, but (small) nonzero values for M for s>1. Using the data for the ground-state energy and the order parameter for s=3/2,2,5/2, and 3 we also estimate the leading quantum corrections to the classical values.Comment: 7 pages, 6 figure

A mode-coupling theory for the glassy dynamics of a diatomic probe molecule immersed in a simple liquid

Generalizing the mode-coupling theory for ideal liquid-glass transitions, equations of motion are derived for the correlation functions describing the glassy dynamics of a diatomic probe molecule immersed in a simple glass-forming system. The molecule is described in the interaction-site representation and the equations are solved for a dumbbell molecule consisting of two fused hard spheres in a hard-sphere system. The results for the molecule's arrested position in the glass state and the reorientational correlators for angular-momentum index $\ell = 1$ and $\ell = 2$ near the glass transition are compared with those obtained previously within a theory based on a tensor-density description of the molecule in order to demonstrate that the two approaches yield equivalent results. For strongly hindered reorientational motion, the dipole-relaxation spectra for the $\alpha$-process can be mapped on the dielectric-loss spectra of glycerol if a rescaling is performed according to a suggestion by Dixon et al. [Phys. Rev. Lett. {\bf 65}, 1108 (1990)]. It is demonstrated that the glassy dynamics is independent of the molecule's inertia parameters.Comment: 19 pages, 10 figures, Phys. Rev. E, in prin

The mean-squared displacement of a molecule moving in a glassy system

The mean-squared displacement (MSD) of a hard sphere and of a dumbbell molecule consisting of two fused hard spheres immersed in a dense hard-sphere system is calculated within the mode-coupling theory for ideal liquid-glass transitions. It is proven that the velocity correlator, which is the second time derivative of the MSD, is the negative of a completely monotone function for times within the structural-relaxation regime. The MSD is found to exhibit a large time interval for structural relaxation prior to the onset of the $\alpha$-process which cannot be described by the asymptotic formulas for the mode-coupling-theory-bifurcation dynamics. The $\alpha$-process for molecules with a large elongation is shown to exhibit an anomalously wide cross-over interval between the end of the von-Schweidler decay and the beginning of normal diffusion. The diffusivity of the molecule is predicted to vary non-monotonically as function of its elongation.Comment: 18 pages, 12 figures, Phys. Rev. E, in prin