Journal
DALTON TRANSACTIONS
Volume 39, Issue 20, Pages 4687-4692Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c000356e
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Funding
- 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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