Y3Fe5O12 yttrium iron garnet and lost magnetic moment (computing of spin density)

The yttrium iron garnet (YIG) has been intensively studied in the past as a convenient ferrimagnetic insulator for resonance devices and magnetic memories. The YIG was considered as the model of ionic compound with the ion Fe3+ and 5 μB on each of two iron sites with a resulting magnetization of 5 μB. Contrarily, all neutron diffraction studies lead to a localized moment close to 4 μB. The present work is a tentative to understand these noticeable discrepancies by using the electronic structure computing.