Realistic magnetic thermodynamics by local quantization of a semiclassical Heisenberg model

نویسندگان

چکیده

Abstract Classical Monte Carlo simulation of the Heisenberg model poorly describes many thermodynamic phenomena due to its neglect quantum nature spins. Alternatively, we discuss how semiclassically approach problem and demonstrate a simple method for introducing locally approximate form spin quantization. While procedure underestimates magnetic short-range order, our results suggest correction recovering realistic spin–spin correlations above critical temperature. Moreover, ensemble fluctuations are found provide reasonably accurate thermodynamics, largely reproducing mechanically calculated heat capacities experimental magnetometry ferromagnetic Fe antiferromagnetic RbMnF 3 . Extensions proposed address remaining inaccuracies.

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ژورنال

عنوان ژورنال: npj computational materials

سال: 2022

ISSN: ['2057-3960']

DOI: https://doi.org/10.1038/s41524-022-00875-8