Validity of the classical monte carlo method to model the magnetic properties of a large transition-metal cluster: Mn19 |
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| Authors: | Lima Nicola Caneschi Andrea Gatteschi Dante Kritikos Mikael Westin L Gunnar |
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| Affiliation: | Department of Chemistry and UdR INSTM, University of Florence, 50019 Sesto Fiorentino, Italy. |
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| Abstract: | The susceptibility of the large transition-metal cluster [Mn19O12(MOE)14(MOEH)10].MOEH (MOE = OC2H2O-CH3) has been fitted through classical Monte Carlo simulation, and an estimation of the exchange coupling constants has been done. With these results, it has been possible to perform a full-matrix diagonalization of the cluster core, which was used to provide information on the nature of the low-lying levels. |
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