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arxiv: 1511.07239 · v2 · pith:FUXNZZVZnew · submitted 2015-11-23 · ❄️ cond-mat.mtrl-sci · cond-mat.stat-mech

Extension of structure integration to magnetic system

classification ❄️ cond-mat.mtrl-sci cond-mat.stat-mech
keywords methodlatticemagneticenergyevaluatefreeintegrationpriori
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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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