Article ID Journal Published Year Pages File Type
1815261 Physica B: Condensed Matter 2006 4 Pages PDF
Abstract
Theoretical methods based on density functional theory have been employed to analyze the exchange interactions in an Fe6 complex. The calculated exchange coupling constants are consistent with an S=5 ground state and agree well with those reported previously for other FeIII polynuclear complexes. Ferromagnetic interactions may appear through exchange pathways formed by two bridging hydroxo or oxo ligands.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
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