Abstract

A semi-first principle approach was applied in this study to calculate the exchange interactions and electronic structure of nickel ferrite. From calculated density of states and exchange interactions, it implied that the charge transfer nature of Ni/sup 2+/ ion is stronger than Fe/sup 3+/ ion and the exchange interaction between Fe/sup 3+/ and Ni/sup 2+/ ions is stronger than the exchange interaction between Fe/sup 3+/ ions. Also, this predicted that nickel ferrite is a good insulator with a band gap of 5 eV.

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