The electronic structure and magnetooptical spectra of NiFe2O4

被引：0
作者：
Horpynyuk, O. N.
Antonov, V. N.
Shpak, A. P.
Plotnikov, N. A.
机构：
来源：
METALLOFIZIKA I NOVEISHIE TEKHNOLOGII | 2006年 / 28卷 / 12期
关键词：
NiFe2O4; LMTO; LSDA plus U; MO; trevorite;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The electronic structure and magnetooptical spectra of charge-ordered trevorite (NiFe2O4) are investigated theoretically based on the first principles, using the fully-relativistic Dirac's linear muffin-tin band structure method. The electronic structure is obtained within the local spin-density approximation (LSDA) as well as within the so-called LSDA + U approach, for which the charge ordering is found to be a stable solution with an energy-gap value of 0.99 eV in contrast to a metallic state given by LSDA.
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页码：1603 / 1614
页数：12
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