arXiv subjects

Shan-Ho Tsai

Publications and source records attributed to Shan-Ho Tsai.

At least 19 recordsLinked to original sources

arXiv2019

Finite size scaling for a first order transition where a continuous symmetry is broken: The spin-flop transition in the 3D XXZ Heisenberg antiferromagnet

Finite size scaling for a first order phase transition where a continuous symmetry is broken is developed using an approximation of Gaussian probability distributions with a phenomenological "degeneracy" factor included. Predictions are compared with data from Monte Carlo simulations of the three-dimensional, XXZ Heisenberg antiferromagnet in a field in order to study the finite size behavior on a $L \times L \times L$ simple cubic lattice for the first order "spin-flop" transition between the Ising-like antiferromagnetic state and the canted, XY-like state. Our theory predicts that for large linear dimension $L$ the field dependence of all moments of the order parameters as well as the fourth-order cumulants exhibit universal intersections. Corrections to leading order should scale as the inverse volume. The values of these intersections at the spin-flop transition point can be expressed in terms of a factor $q$ that characterizes the relative degeneracy of the ordered phases. Our theory yields $q=π$, and we present numerical evidence that is compatible with this prediction. The agreement between the theory and simulation implies a heretofore unknown universality can be invoked for first order phase transitions.

physics.comp-ph↗

arXiv2015

Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this difficulty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.

physics.comp-ph↗

arXiv2008

Improving Wang-Landau sampling with adaptive windows

Wang-Landau sampling (WLS) of large systems requires dividing the energy range into "windows" and joining the results of simulations in each window. The resulting density of states (and associated thermodynamic functions) are shown to suffer from boundary effects in simulations of lattice polymers and the five-state Potts model. Here, we implement WLS using adaptive windows. Instead of defining fixed energy windows (or windows in the energy-magnetization plane for the Potts model), the boundary positions depend on the set of energy values on which the histogram is flat at a given stage of the simulation. Shifting the windows each time the modification factor f is reduced, we eliminate border effects that arise in simulations using fixed windows. Adaptive windows extend significantly the range of system sizes that may be studied reliably using WLS.

cond-mat.stat-mech↗

arXiv2004

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↗

arXiv2003

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↗

arXiv2003

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↗

arXiv2003

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↗

arXiv2003

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↗

arXiv2003

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↗

arXiv1999

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↗

arXiv1999

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↗

arXiv1999

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↗

arXiv1999

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↗

arXiv1999

Ground-State Degeneracy of Potts Antiferromagnets on Two-Dimensional Lattices: Approach Using Infinite Cyclic Strip Graphs

The q-state Potts antiferromagnet on a lattice $Λ$ exhibits nonzero ground state entropy $S_0=k_B \ln W$ for sufficiently large q and hence is an exception to the third law of thermodynamics. An outstanding challenge has been the calculation of W(sq,q) on the square (sq) lattice. We present here an exact calculation of W on an infinite-length cyclic strip of the square lattice which embodies the expected analytic properties of W(sq,q). Similar results are given for the kagomé lattice.

cond-mat.stat-mech↗

arXiv1999

Exact Partition Functions for Potts Antiferromagnets on Cyclic Lattice Strips

We present exact calculations of the zero-temperature partition function of the $q$-state Potts antiferromagnet on arbitrarily long strips of the square, triangular, and kagomé lattices with width $L_y=2$ or 3 vertices and with periodic longitudinal boundary conditions. From these, in the limit of infinite length, we obtain the exact ground-state entropy $S_0=k_B \ln W$. These results are of interest since this model exhibits nonzero ground state entropy $S_0 > 0$ for sufficiently large $q$ and hence is an exception to the third law of thermodynamics. We also include results for homeomorphic expansions of the square lattice strip. The analytic properties of $W(q)$ are determined and related to zeros of the chromatic polynomial for long finite strips.

cond-mat.stat-mech↗

arXiv1999

Ground State Entropy of Potts Antiferromagnets on Cyclic Polygon Chain Graphs

We present exact calculations of chromatic polynomials for families of cyclic graphs consisting of linked polygons, where the polygons may be adjacent or separated by a given number of bonds. From these we calculate the (exponential of the) ground state entropy, $W$, for the q-state Potts model on these graphs in the limit of infinitely many vertices. A number of properties are proved concerning the continuous locus, ${\cal B}$, of nonanalyticities in $W$. Our results provide further evidence for a general rule concerning the maximal region in the complex q plane to which one can analytically continue from the physical interval where $S_0 > 0$.

cond-mat.stat-mech↗

arXiv1999

Ground State Entropy of the Potts Antiferromagnet on Cyclic Strip Graphs

We present exact calculations of the zero-temperature partition function (chromatic polynomial) and the (exponent of the) ground-state entropy $S_0$ for the $q$-state Potts antiferromagnet on families of cyclic and twisted cyclic (Möbius) strip graphs composed of $p$-sided polygons. Our results suggest a general rule concerning the maximal region in the complex $q$ plane to which one can analytically continue from the physical interval where $S_0 > 0$. The chromatic zeros and their accumulation set ${\cal B}$ exhibit the rather unusual property of including support for $Re(q) < 0$ and provide further evidence for a relevant conjecture.

cond-mat.stat-mech↗

arXiv1998

Ground State Entropy of Potts Antiferromagnets: Homeomorphic Classes with Noncompact W Boundaries

We present exact calculations of the zero-temperature partition function $Z(G,q,T=0)$ and ground-state degeneracy $W(\{G\},q)$ for the $q$-state Potts antiferromagnet on a number of families of graphs $G$ for which (generalizing $q$ from ${\mathbb Z}_+$ to ${\mathbb C}$) the boundary ${\cal B}$ of regions of analyticity of $W$ in the complex $q$ plane is noncompact, passing through $z=1/q=0$. For these types of graphs, since the reduced function $W_{red.}=q^{-1}W$ is nonanalytic at $z=0$, there is no large--$q$ Taylor series expansion of $W_{red.}$. The study of these graphs thus gives insight into the conditions for the validity of the large--$q$ expansions. It is shown how such (families of) graphs can be generated from known families by homeomorphic expansion.

cond-mat.stat-mech↗