4.7 Article

Simple models and powerful tools for seeking a comprehensive understanding of the magnetic properties of molecular magnets

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DALTON TRANSACTIONS
卷 39, 期 20, 页码 4687-4692

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c000356e

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  1. Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358]

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The Heisenberg model provides a simple but powerful theoretical platform for modelling magnetic molecules. In this article, we demonstrate that-despite its simplicity-an isotropic Heisenberg model successfully provides a comprehensive description of the magnetic properties of the {Fe(8)}-cubane and the {Cr(12)Cu(2)} magnetic molecules. However, in order to achieve this success, it is necessary to employ a variety of sophisticated experimental and theoretical techniques. These include the use of pulsed-field measurements to observe a high-field (41 T) ground-state level crossing in the {Fe(8)}-cubane system, and tunnel-diode oscillator measurements, which we use to observe excited-state level crossings in the {Cr(12)Cu(2)} ring. For these two systems, the theoretical modelling was carried out using matrix diagonalization and quantum Monte Carlo calculations, respectively.

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