Title :
A calculation of exchange interactions and electronic structure of nickel ferrite
Author :
Zuo, Xu ; Yan, Shaolin ; Barbiellini, B. ; Harris, Vincent ; Vittoria, Carnine
Author_Institution :
Coll. of Inf. Tech. Sci., Nankai Univ., Tianjin, China
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 Ni2+ ion is stronger than Fe3+ ion and the exchange interaction between Fe3+ and Ni2+ ions is stronger than the exchange interaction between Fe3+ ions. Also, this predicted that nickel ferrite is a good insulator with a band gap of 5 eV.
Keywords :
ab initio calculations; charge exchange; electronic density of states; energy gap; exchange interactions (electron); ferrites; nickel compounds; Fe3+ ion; Ni2+ ion; NiFe2O4; band gap; charge transfer; density of states; electronic structure; exchange interactions; insulator; nickel ferrite; semifirst principle approach; Charge transfer; Educational institutions; Elementary particle exchange interactions; Ferrites; Hafnium; Magnetic materials; Manganese; Nickel; Orbital calculations; Temperature;
Conference_Titel :
Magnetics Conference, 2005. INTERMAG Asia 2005. Digests of the IEEE International
Print_ISBN :
0-7803-9009-1
DOI :
10.1109/INTMAG.2005.1464177
