Quantum-classical correspondence for spins at finite temperatures with application to Monte Carlo simulations

Abstract

We consider quantum-to-classical mapping for an arbitrary system of interacting spins at finite temperatures. We prove that, in the large-$S$ limit, the asymptotic form of the partition function coincides with that of a classical model for spins of length $S_C=\sqrt{S(S+1)}$. Quantum corrections to the leading term form a series in powers of $1/[S(S+1)]$. This representation provides a rigorous basis for classical modeling of realistic magnetic Hamiltonians. As an application, the classical Monte Carlo simulations are performed to compute transition temperatures for several topical materials with known interaction parameters, including MnF$_2$, MnTe, Rb$_2$MnF$_4$, MnPSe$_3$, FePS$_3$, FePSe$_3$, CoPS$_3$, CrSBr, and CrI$_3$. The resulting transition temperatures show good agreement with experimental data.