The Electronic Structure of the Rare-Earth Iron Garnets and Rare-Earth Gallium Garnets as Calculated by the SC-Xα-SW Method
Using the SCF-Xα-SW method calculations of the electronic structure of the complexes (Yb O8Fe2)7- and (Yb O8Ga2)7- have been carried out. Results show that there is preferential transfer of charge from the rare-earth and ferric ions onto those oxygen ligands which are found experimentally to form the dominant superexchange paths between the ions.
KeywordsExchange Path Atomic Sphere Crystal Field Effect Preferential Transfer Ground State Electron Structure
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