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Extension of structure integration to magnetic system

Published 23 Nov 2015 in cond-mat.mtrl-sci and cond-mat.stat-mech | (1511.07239v2)

Abstract: We extend our previously developed method, "structure integration", to evaluate free energy directly for magnetic large systems on given lattice. The present method express the density of states(DOS) as the parameters independent of system but depend on lattice, and replace the DOS unknown a priori as that known a priori. Through two-dimensional square lattice Ising model, we find that the present method can evaluate magnetic free energy efficiently and accurately above critical temperature without iterative method like Monte Carlo simulation.

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