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D. P. Landau

Publications and source records attributed to D. P. Landau.

At least 37 records · Page 2Linked to original sources

Phase transitions in ferro-antiferromagnetic bilayers with a stepped interface

We have studied magnetic ordering in ferro/antiferromagnetic (F/AF) bilayers using Monte Carlo simulations of classical Heisenberg spins. For both flat and stepped interfaces we observed order in the AF above the Neel temperature, with the AF spins aligning collinearly with the F moments. In the case of the stepped interface there is a transition from collinear to perpendicular alignment of the F and AF spins at a lower temperature.

cond-mat.stat-mech↗

Dynamic critical behavior of the classical anisotropic BCC Heisenberg antiferromagnet

Using a recently implemented integration method [Krech et. al.] based on an iterative second-order Suzuki-Trotter decomposition scheme, we have performed spin dynamics simulations to study the critical dynamics of the BCC Heisenberg antiferromagnet with uniaxial anisotropy. This technique allowed us to probe the narrow asymptotic critical region of the model and estimate the dynamic critical exponent $z=2.25 \pm 0.08$. Comparisons with competing theories and experimental results are presented.

cond-mat.stat-mech↗

Simulations of a classical spin system with competing superexchange and double-exchange interactions

Monte-Carlo simulations and ground-state calculations have been used to map out the phase diagram of a system of classical spins, on a simple cubic lattice, where nearest-neighbor pairs of spins are coupled via competing antiferromagnetic superexchange and ferromagnetic double-exchange interactions. For a certain range of parameters, this model is relevant for some magnetic materials, such as doped manganites, which exhibit the remarkable colossal magnetoresistance effect. The phase diagram includes two regions in which the two sublattice magnetizations differ in magnitude. Spin-dynamics simulations have been used to compute the time- and space-displaced spin-spin correlation functions, and their Fourier transforms, which yield the dynamic structure factor $S(q,ω)$ for this system. Effects of the double-exchange interaction on the dispersion curves are shown.

cond-mat.stat-mech↗

Avoiding Boundary Effects in Wang-Landau Sampling

A simple modification of the ``Wang-Landau sampling'' algorithm removes the systematic error that occurs at the boundary of the range of energy over which the random walk takes place in the original algorithm.

cond-mat.stat-mech↗

Monte Carlo simulations of ordering in ferromagnetic-antiferromagnetic bilayers

Monte Carlo simulations have been used to study phase transitions on coupled anisotropic ferro/antiferromagnetic (FM/AFM) films of classical Heisenberg spins. We consider films of different thicknesses, with fully compensated exchange across the FM/AFM interface. We find indications of a phase transition on each film, occuring at different temperatures. It appears that both transition temperatures depend on the film thickness.

cond-mat↗

Effect of interfacial coupling on the magnetic ordering in ferro-antiferromagnetic bilayers

Monte Carlo simulations have been used to study magnetic ordering in coupled anisotropic ferro/antiferromagnetic (FM/AFM) films of classical Heisenberg spins. We consider films with flat interfaces that are fully uncompensated as well as rough interfaces that are compensated on average. For both types of interfaces above the ``Néel temperature'' we observed order in the AFM with the AFM spins aligning collinearly with the FM moments. In the case of rough interfaces there is a transition from collinear to perpendicular alignment of the FM and AFM spins at a lower temperature.

cond-mat.stat-mech↗

Critical dynamics of the simple-cubic Heisenberg antiferromagnet RbMnF$_3$: Extrapolation to q=0

Monte Carlo and spin dynamics simulations have been used to study the dynamic critical behavior of RbMnF$_3$, treated as a classical Heisenberg antiferromagnet on a simple cubic lattice. In an attempt to understand the difference in the value of the dynamic critical exponent $z$ between experiment and theory, we have used larger lattice sizes than in our previous simulations to better probe the asymptotic critical region in momentum. We estimate $z=1.49\pm 0.03$, in good agreement with the renormalization-group theory and dynamic scaling predictions. In addition, the central peak in the dynamic structure factor at $T_c$, seen in experiments and previous simulations, but absent in the renomalization-group and mode-coupling theories, is shown to be solely in the longitudinal component.

cond-mat↗

Cluster Hybrid Monte Carlo Simulation Algorithms

We show that addition of Metropolis single spin-flips to the Wolff cluster flipping Monte Carlo procedure leads to a dramatic {\bf increase} in performance for the spin-1/2 Ising model. We also show that adding Wolff cluster flipping to the Metropolis or heat bath algorithms in systems where just cluster flipping is not immediately obvious (such as the spin-3/2 Ising model) can substantially {\bf reduce} the statistical errors of the simulations. A further advantage of these methods is that systematic errors introduced by the use of imperfect random number generation may be largely healed by hybridizing single spin-flips with cluster flipping.

cond-mat.stat-mech↗

Spin-dynamics simulations of the triangular antiferromagnetic XY model

Using Monte Carlo and spin-dynamics methods, we have investigated the dynamic behavior of the classical, antiferromagnetic XY model on a triangular lattice with linear sizes $L \leq 300$. The temporal evolutions of spin configurations were obtained by solving numerically the coupled equations of motion for each spin using fourth-order Suzuki-Trotter decompositions of exponential operators. From space- and time-displaced spin-spin correlation functions and their space-time Fourier transforms we obtained the dynamic structure factor $S({\bf q},w)$ for momentum ${\bf q}$ and frequency $ω$. Below $T_{KT}$(Kosterlitz-Thouless transition), both the in-plane ($S^{xx}$) and the out-of-plane ($S^{zz}$) components of $S({\bf q},ω)$ exhibit very strong and sharp spin-wave peaks. Well above $T_{KT}$, $S^{xx}$ and $S^{zz}$ apparently display a central peak, and spin-wave signatures are still seen in $S^{zz}$. In addition, we also observed an almost dispersionless domain-wall peak at high $ω$ below $T_{c}$(Ising transition), where long-range order appears in the staggered chirality. Above $T_{c}$, the domain-wall peak disappears for all $q$. The lineshape of these peaks is captured reasonably well by a Lorentzian form. Using a dynamic finite-size scaling theory, we determined the dynamic critical exponent $z$ = 1.002(3). We found that our results demonstrate the consistency of the dynamic finite-size scaling theory for the characteristic frequeny $ω_{m}$ and the dynamic structure factor $S({\bf q},ω)$ itself.

cond-mat.stat-mech↗

An efficient, multiple range random walk algorithm to calculate the density of states

We present a new Monte Carlo algorithm that produces results of high accuracy with reduced simulational effort. Independent random walks are performed (concurrently or serially) in different, restricted ranges of energy, and the resultant density of states is modified continuously to produce locally flat histograms. This method permits us to directly access the free energy and entropy, is independent of temperature, and is efficient for the study of both 1st order and 2nd order phase transitions. It should also be useful for the study of complex systems with a rough energy landscape.

cond-mat.stat-mech↗

Spin dynamics simulations of excitations and critical dynamics in RbMnF_3

Spin-dynamics simulations have been used to investigate the dynamic behavior of RbMnF_3, treating it as a classical Heisenberg antiferromagnet on a simple cubic lattice. Time-evolutions of spin configurations were determined numerically from coupled equations of motion for individual spins using a new algorithm which is based on Suzuki-Trotter decompositions of exponential operators. The dynamic structure factor was calculated from the space- and time-displaced spin-spin correlation function. The crossover from hydrodynamic to critical behavior of the dispersion curve and spin-wave half-width was studied as the temperature was increased towards the critical value. The dynamic critical exponent was estimated to be z=(1.43\pm 0.03), which is slightly lower than the dynamic scaling prediction, but in good agreement with a recent experimental value. Comparisons are made of both the dispersion curve and the lineshapes obtained from our simulations with very recent experimental results for RbMnF_3 are presented.

cond-mat.stat-mech↗

Improved Spin Dynamics Simulations of Magnetic Excitations

Using Suzuki-Trotter decompositions of exponential operators we describe new algorithms for the numerical integration of the equations of motion for classical spin systems. These techniques conserve spin length exactly and, in special cases, also conserve the energy and maintain time reversibility. We investigate integration schemes of up to eighth order and show that these new algorithms can be used with much larger time steps than a well established predictor-corrector method. These methods may lead to a substantial speedup of spin dynamics simulations, however, the choice of which order method to use is not always straightforward.

cond-mat.stat-mech↗

Spin dynamics simulations - a powerful method for the study of critical dynamics

Spin-dynamics techniques can now be used to study the deterministic time-dependent behavior of magnetic systems containing over 10^5 spins with quite good accuracy. This approach will be introduced, including the theoretical foundations of the methods of analysis. Then newly developed, improved techniques based upon Suzuki-Trotter decomposition methods will be described. The current ``state-of-the-art'' will be evaluated with specific examples drawn from data on simple magnetic models. The examination of dynamic critical behavior will be highlighted but the extraction of information about excitations at low temperatures will be included.

cond-mat.stat-mech↗

Formation and Equilibrium Properties of Living Polymer Brushes

Polydisperse brushes obtained by reversible radical chain polymerization reaction onto a solid substrate with surface-attached initiators, are studied by means of an off-lattice Monte Carlo algorithm of living polymers (LP). Various properties of such brushes, like the average chain length and the conformational orientation of the polymers, or the force exerted by the brush on the opposite container wall, reveal power-law dependence on the relevant parameters. The observed molecular weight distribution (MWD) of the grafted LP decays much more slowly than the corresponding LP bulk system due to the gradient of the monomer density within the dense pseudo-brush which favors longer chains. Both MWD and the density profiles of grafted polymers and chain ends are well fitted by effective power laws whereby the different exponents turn out to be mutually self-consistent for a pseudo-brush in the strong-stretching regime.

cond-mat.stat-mech↗

Dynamical Monte Carlo Study of Equilibrium Polymers: Effects of High Density and Ring Formation

An off-lattice Monte Carlo algorithm for solutions of equilibrium polymers (EP) is proposed. At low and moderate densities this is shown to reproduce faithfully the (static) properties found recently for flexible linear EP using a lattice model. The molecular weight distribution (MWD) is well described in the dilute limit by a Schultz-Zimm distribution and becomes purely exponential in the semi-dilute limit. Additionally, very concentrated molten systems are studied. The MWD remains a pure exponential in contrast to recent claims. The mean chain mass is found to increase faster with density than in the semi-dilute regime due to additional entropic interactions generated by the dense packing of spheres. We also consider systems in which the formation of rings is allowed so that both the linear chains and the rings compete for the monomers. In agreement with earlier predictions the MWD of the rings reveals a strong singularity whereas the MWD of the coexisting linear chains remains essentially unaffected.

cond-mat.stat-mech↗

Spin dynamics simulations of the magnetic dynamics of RbMnF$_3$ and direct comparison with experiment

Spin-dynamics techniques have been used to perform large-scale simulations of the dynamic behavior of the classical Heisenberg antiferromagnet in simple cubic lattices with linear sizes $L\leq 60$. This system is widely recognized as an appropriate model for the magnetic properties of RbMnF$_3$. Time-evolutions of spin configurations were determined numerically from coupled equations of motion for individual spins using a new algorithm implemented by Krech {\it etal}, which is based on fourth-order Suzuki-Trotter decompositions of exponential operators. The dynamic structure factor was calculated from the space- and time-displaced spin-spin correlation function. The crossover from hydrodynamic to critical behavior of the dispersion curve and spin-wave half-width was studied as the temperature was increased towards the critical temperature. The dynamic critical exponent was estimated to be $z=(1.43\pm 0.03)$, which is slightly lower than the dynamic scaling prediction, but in good agreement with a recent experimental value. Direct, quantitative comparisons of both the dispersion curve and the lineshapes obtained from our simulations with very recent experimental results for RbMnF$_3$ are presented.

cond-mat.stat-mech↗

Longitudinal magnetic excitations in classical spin systems

Using spin dynamics simulations we predict the splitting of the longitudinal spin wave peak in all antiferromagnets with single site anisotropy into two peaks separated by twice the energy gap at the Brillouin zone center. This phenomenon has yet to be observed experimentally but can be easily investigated through neutron scattering experiments on MnF$_2$ and FeF$_2$. We have also determined that for all classical Heisenberg models the longitudinal propagative excitations are entirely multiple spin-wave in nature.

cond-mat.mtrl-sci↗

A Monte Carlo Study of Equilibrium Polymers in a Shear Flow

We use an off-lattice microscopic model for solutions of equilibrium polymers (EP) in a lamellar shear flow generated by means of a self-consistent external field between parallel hard walls. The individual conformations of the chains are found to elongate in flow direction and shrink perpendicular to it while the average polymer length decreases with increasing shear rate. The Molecular Weight Distribution of the chain lengths retains largely its exponential form in dense solutions whereas in dilute solutions it changes from a power-exponential Schwartz distribution to a purely exponential one upon an increase of the shear rate.

cond-mat.soft↗