Exact classical spin dynamics of high spin nanoscale molecular magnetic clusters

A common feature of many organic-based molecular magnets is that inter-molecular magnetic interactions are extremely weak compared to intra-molecular ones. As a result a bulk sample can be described in terms of independent individual molecular magnets made up of a cluster of a small finite number of coupled magnetic spins. Because of the large value of individual spins of several molecular magnetic compounds it turns out that such systems can be described to very high accuracy, at sufficiently high temperatures, by a classical Heisenberg spin model. Only for sufficiently low temperatures need one incorporate the quantum character of the spins. In this work we focus on the exact classical spin dynamics of small nanoscale molecular magnetic clusters of classical Heisenberg spins. The present study permits us to obtain analytical solutions for the time-dependent spin-spin autocorrelation function for certain clusters of classical Heisenberg spins coupled through exchange interaction. This study underscores the potential utility of a classical spin treatment of nanoscale magnetic clusters and provides results useful to interpret data obtained from experiments. (C) 2021 Elsevier B.V. All rights reserved.