Spinel ferrites calculation

Poster 33. Akira Kubo, Shinta Watanabe, Hiroki Moriwake and Kazuyoshi Ogasawara (Kwansei Gakuin University, Japan Fine Ceramics Center) An Approach for Design of Magnetic Materials Based on Spinel Ferrites using First-Principles Calculations... 

Person 1 Calculate the net magnetic moment per unit cell for copper ferrite. Remember that there is more than one formula unit (CuFe204) per unit cell in the inverse spinel structure. 

It turns out that crystal field theory accounts adequately for practically all the experimental results in spinels. The fact that all the known chromites have a normal distribution is consistent with the high octahedral field stabilisation energy value calculated for Cr (S = 3/2). In ferrites, the arrangement is very dependent on the divalent cation, since Fe has no crystal field stabilisation energy. When the divalent cation also shows no clear preference, ferrites with 3 values between zero and one (mixed ferrites) are obtained. 

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