人工镍铁氧体交换常数及电子结构的计算

INTERMAG 2006 - IEEE International Magnetics Conference Pub Date : 2006-05-08 DOI:10.1109/INTMAG.2006.375460

X. Zuo, A. Yang, V. Harris, C. Vittoria

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摘要

由于交换常数和带隙直接影响人工镍铁氧体的磁化性能和电导率，因此对它们进行了数值模拟。使用密度泛函计算来研究材料的磁性和状态密度，解决了这些基本问题。磁化强度由Mulliken总体分析计算的局部磁矩推导而来。

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Calculation of Exchange Constants and Electronic Structure of Artificial Nickel Ferrite

Exchange constants and band gap is predicted numerically for artificial nickel ferrite since they directly affect the magnetization and conductivity. These fundamental issues are addressed using density functional calculations to study the magnetic properties and the density of states of the material. The magnetization is deduced from the local magnetic moments calculated from the Mulliken population analysis.

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INTERMAG 2006 - IEEE International Magnetics Conference

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