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Computational Methods in Science and Technology

LARGE-SCALE SIMULATIONS OF PHASE TRANSITIONS AND LOW-DIMENSIONAL MAGNETS

G. Kamieniarz

Published Jan 1, 1996• 0 citations
Publisher

Abstract

Recent developments in computer simulations of phase transitions in Ising-like systems and thermodynamic behaviour of quantum spin chains are reviewed.A combination of stochastic Monte Carlo as well as deterministic transfer matrix and finite-size diagonalization methods is described in both fields as regards static properties.Asymptotic analysis and extrapolation techniques are presented in detail.Some effective-field methods, series expansions, spin dynamics simulations and experimental applications are also discussed.

DOI
10.12921/cmst.1996.01.01.55-98

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These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of Monte Carlo studies of classical spin systems, to illustrate finite-size scaling at continuous and first-order phase transitions. Exact diagonalization and quantum Monte Carlo (stochastic series expansion) algorithms and their computer implementations are then discussed in detail. Applications of the methods are illustrated by results for some of the most essential models in quantum magnetism, such as the S=1/2 Heisenberg antiferromagnet in one and two dimensions, as well as extended models useful for studying quantum phase transitions between antiferromagnetic and magnetically disordered states.
Some recent progress in Monte Carlo simulations of spin glasses will be presented. The problem of slow dynamics at low temperatures is partially alleviated by use of the parallel tempering (replica exchange) method. A useful technique to check for equilibration (applicable only for a Gaussian distribution) will be discussed. It will be argued that a finite size scaling analysis of the scaled correlation length of the system is a good approach with which to investigate phase transitions in spin glasses. This method will be used to study two questions: (i) whether there is a phase transition in zero field in the Heisenberg spin glass in three dimensions, and (ii) whether there is phase transition in a magnetic field in an Ising spin glass, also in three dimensions.
Long-range interactions are relevant for a large variety of quantum systems in quantum optics and condensed matter physics. In particular, the control of quantum-optical platforms promises to gain deep insights into quantum-critical properties induced by the long-range nature of interactions. From a theoretical perspective, long-range interactions are notoriously complicated to treat. Here, we give an overview of recent advancements to investigate quantum magnets with long-range interactions focusing on two techniques based on Monte Carlo integration. First, the method of perturbative continuous unitary transformations where classical Monte Carlo integration is applied within the embedding scheme of white graphs. This linked-cluster expansion allows extracting high-order series expansions of energies and observables in the thermodynamic limit. Second, stochastic series expansion quantum Monte Carlo integration enables calculations on large finite systems. Finite-size scaling can then be used to determine the physical properties of the infinite system. In recent years, both techniques have been applied successfully to one- and two-dimensional quantum magnets involving long-range Ising, XY, and Heisenberg interactions on various bipartite and non-bipartite lattices. Here, we summarise the obtained quantum-critical properties including critical exponents for all these systems in a coherent way. Further, we review how long-range interactions are used to study quantum phase transitions above the upper critical dimension and the scaling techniques to extract these quantum critical properties from the numerical calculations.